Cas no 6966-41-2 (Benzoic acid,4-[(pentylsulfonyl)amino]-)
![Benzoic acid,4-[(pentylsulfonyl)amino]- structure](https://ossimg.kuujia.com/scimg/7000/6966-41-2x500.png)
6966-41-2 structure
Product Name:Benzoic acid,4-[(pentylsulfonyl)amino]-
CAS No:6966-41-2
MF:C12H17NO4S
MW:271.33268237114
CID:517857
PubChem ID:227299
Update Time:2025-04-19
Benzoic acid,4-[(pentylsulfonyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[(pentylsulfonyl)amino]-
- 4-(pentylsulfonylamino)benzoic acid
- 4-(Pentan-1-sulfonylamino)-benzoesaeure
- 4-(pentane-1-sulfonylamino)-benzoic acid
- 4-[(pentylsulfonyl)amino]benzoic acid
- AC1L5FE6
- AC1Q6VU7
- AG-J-29509
- AR-1F9421
- CTK5D0814
- NSC18782
- NSC-18782
- DTXSID70280817
- 6966-41-2
- SCHEMBL16051464
-
- Inchi： 1S/C12H17NO4S/c1-2-3-4-9-18(16,17)13-11-7-5-10(6-8-11)12(14)15/h5-8,13H,2-4,9H2,1H3,(H,14,15)
- InChI Key： QDMLTJRBUROWBY-UHFFFAOYSA-N
- SMILES： S(CCCCC)(NC1C=CC(C(=O)O)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 271.08791
- Monoisotopic Mass: 271.08782920g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 353
- 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: 2.2
- Topological Polar Surface Area: 91.8?2
Experimental Properties
- PSA: 83.47
Benzoic acid,4-[(pentylsulfonyl)amino]- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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