Cas no 218920-93-5 (Benzenesulfonamide, 4-chloro-N-(cyanomethyl)-)
218920-93-5 structure
Product Name:Benzenesulfonamide, 4-chloro-N-(cyanomethyl)-
CAS No:218920-93-5
MF:C8H7ClN2O2S
MW:230.671379327774
CID:1405214
PubChem ID:1722519
Update Time:2025-04-20
Benzenesulfonamide, 4-chloro-N-(cyanomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-chloro-N-(cyanomethyl)-
- CS-0360382
- 4-CHLORO-N-(CYANOMETHYL)BENZENE-1-SULFONAMIDE
- 218920-93-5
- AKOS003259173
- 4-chloro-N-(cyanomethyl)benzenesulfonamide
- STL260610
-
- Inchi： 1S/C8H7ClN2O2S/c9-7-1-3-8(4-2-7)14(12,13)11-6-5-10/h1-4,11H,6H2
- InChI Key： IBWFPJGDOBWFRS-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)S(NCC#N)(=O)=O
Computed Properties
- Exact Mass: 229.99181
- Monoisotopic Mass: 229.9916763g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 319
- 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: 1.3
- Topological Polar Surface Area: 78.3?2
Experimental Properties
- PSA: 69.96
Benzenesulfonamide, 4-chloro-N-(cyanomethyl)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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