| CAS Number | 191868-54-9 |
| Catalog Number | AG00I2UN(AGN-PC-0LWTOT) |
| Chemical Name | Benzenemethanesulfonamide, 4-cyano- |
| IUPAC Name | (4-cyanophenyl)methanesulfonamide |
| InChI | InChI=1S/C8H8N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12) |
| InChI Key | SZJRAEXJNGIIDT-UHFFFAOYSA-N |
| MDL Number | MFCD07689448 |
| Molecular Formula | C8H8N2O2S |
| Molecular Weight | 196.2263 |
| SMILES | N#Cc1ccc(cc1)CS(=O)(=O)N |
| Synonyms | (4-cyanophenyl)methanesulfonamide,
1-(4-cyanophenyl)methanesulfonamide,
191868-54-9,
Benzenemethanesulfonamide, 4-cyano-,
AC1OFLQ9,
AC1Q55GI,
SCHEMBL3124861,
CTK7C7812,
SZJRAEXJNGIIDT-UHFFFAOYSA-N,
ZINC4218903,
MFCD07689448,
AKOS008065344,
MCULE-1269811099,
NE60050,
AM100450,
EN300-15345,
ZINC04218903,
CID7131562,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.224g/mol |
| Monoisotopic Mass | 196.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number