Cas no 19918-49-1 (Benzenesulfonamide,N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-)
19918-49-1 structure
Product Name:Benzenesulfonamide,N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-
CAS No:19918-49-1
MF:C13H17N3O2S2
MW:311.422980070114
CID:232082
PubChem ID:263197
Update Time:2025-04-19
Benzenesulfonamide,N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-
- N-(5-Butyl-1,3,4-thiadiazol-2-yl)-p-toluenesulfonamide
- N-(butyl-[1,3,4]thiadiazol-2-yl)-toluene-4-sulfonamide
- N-(Butyl-[1,3,4]thiadiazol-2-yl)-toluol-4-sulfonamid
- N-(5-Butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzene-1-sulfonamide
- n-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
- DTXSID30941831
- SCHEMBL10555986
- NSC97572
- 19918-49-1
- NSC-97572
-
- Inchi： 1S/C13H17N3O2S2/c1-3-4-5-12-14-15-13(19-12)16-20(17,18)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H,15,16)
- InChI Key： OFWASDFJBMOHBA-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(NC1=NN=C(CCCC)S1)(=O)=O
Computed Properties
- Exact Mass: 311.07641
- Monoisotopic Mass: 311.07621914g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 389
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 109?2
Experimental Properties
- PSA: 71.95
- LogP: 4.14370
Benzenesulfonamide,N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methyl- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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