Cas no 4889-20-7 (Benzenesulfonamide, 4-amino-N-(2-chloroethyl)-)
4889-20-7 structure
Product Name:Benzenesulfonamide, 4-amino-N-(2-chloroethyl)-
CAS No:4889-20-7
MF:C8H11ClN2O2S
MW:234.703139543533
CID:323866
PubChem ID:20194947
Update Time:2025-04-19
Benzenesulfonamide, 4-amino-N-(2-chloroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-amino-N-(2-chloroethyl)-
- 4-amino-N-(2-chloroethyl)benzenesulfonamide
- DTXSID10603405
- 4-Amino-N-(2-chloroethyl)benzene-1-sulfonamide
- 4889-20-7
- SCHEMBL4182181
- PYZJIBJQKFZZML-UHFFFAOYSA-N
-
- Inchi： 1S/C8H11ClN2O2S/c9-5-6-11-14(12,13)8-3-1-7(10)2-4-8/h1-4,11H,5-6,10H2
- InChI Key： PYZJIBJQKFZZML-UHFFFAOYSA-N
- SMILES： ClCCNS(C1C=CC(=CC=1)N)(=O)=O
Computed Properties
- Exact Mass: 234.0229765g/mol
- Monoisotopic Mass: 234.0229765g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 255
- 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: 0.8
- Topological Polar Surface Area: 80.6?2
Benzenesulfonamide, 4-amino-N-(2-chloroethyl)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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