Cas no 59777-69-4 (Propyl 3-sulfamoylbenzoate)
Propyl 3-sulfamoylbenzoate structure
Product Name:Propyl 3-sulfamoylbenzoate
CAS No:59777-69-4
MF:C10H13NO4S
MW:243.27952170372
CID:2834421
PubChem ID:44365702
Update Time:2025-04-21
Propyl 3-sulfamoylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- PROPYL 3-SULFAMOYLBENZOATE
- AKOS008948538
- CHEMBL348217
- 3-Sulfamoyl-benzoic acid propyl ester
- DTXSID00658469
- 59777-69-4
- Propyl 3-sulfamoylbenzoate
-
- Inchi： 1S/C10H13NO4S/c1-2-6-15-10(12)8-4-3-5-9(7-8)16(11,13)14/h3-5,7H,2,6H2,1H3,(H2,11,13,14)
- InChI Key： HFLORFSZGUVCII-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C(=O)OCCC)C=1)(N)(=O)=O
Computed Properties
- Exact Mass: 243.05652907Da
- Monoisotopic Mass: 243.05652907Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 333
- 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: 1.8
- Topological Polar Surface Area: 94.8?2
Propyl 3-sulfamoylbenzoate Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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