| CAS Number | 56542-65-5 |
| Catalog Number | AG00ELWT(AGN-PC-0WANC9) |
| Chemical Name | 3-Cyano-N-phenylbenzenesulfonamide |
| IUPAC Name | 3-cyano-N-phenylbenzenesulfonamide |
| InChI | InChI=1S/C13H10N2O2S/c14-10-11-5-4-8-13(9-11)18(16,17)15-12-6-2-1-3-7-12/h1-9,15H |
| InChI Key | KYMLGUHTWJQVFT-UHFFFAOYSA-N |
| MDL Number | MFCD04940985 |
| Molecular Formula | C13H10N2O2S |
| Molecular Weight | 258.2957 |
| SMILES | O=S(=O)(NC1=CC=CC=C1)C1=CC=CC(=C1)C#N |
| Synonyms | 3-cyano-N-phenylbenzenesulfonamide,
56542-65-5,
AK149816,
AC1MYQAA,
SCHEMBL19334523,
ZINC7052503,
MFCD04940985,
3-cyano-N-phenylbenzene-1-sulfonamide,
AKOS000198266,
DS-9185,
MCULE-5418252172,
AJ-57088,
AX8287043,
Z45619561,
ZINC07052503,
CID3860630,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.295g/mol |
| Monoisotopic Mass | 258.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number