| CAS Number | 23380-54-3 |
| Catalog Number | AG00BHHW(AGN-PC-0JLYF3) |
| Chemical Name | 2-Amino-4-chloro-5-sulfamoyl-o-benzotoluidide |
| EC Number | 245-620-4 |
| IUPAC Name | 2-amino-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide |
| InChI | InChI=1S/C14H14ClN3O3S/c1-8-4-2-3-5-12(8)18-14(19)9-6-13(22(17,20)21)10(15)7-11(9)16/h2-7H,16H2,1H3,(H,18,19)(H2,17,20,21) |
| InChI Key | YWXVGSRRJLYMHX-UHFFFAOYSA-N |
| MDL Number | MFCD00001913 |
| Molecular Formula | C14H14ClN3O3S |
| Molecular Weight | 339.7973 |
| SMILES | NC1=C(C(NC2=C(C)C=CC=C2)=O)C=C(S(N)(=O)=O)C(Cl)=C1 |
| UNII | U9363D8R2T |
| Synonyms | 23380-54-3,
2-amino-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide,
UNII-U9363D8R2T,
U9363D8R2T,
EINECS 245-620-4,
2-Amino-5-(aminosulphonyl)-4-chloro-N-(o-tolyl)benzamide,
AC1L3J83,
SCHEMBL11246918,
DTXSID80177941,
ZINC6071901,
ACM23380543,
2-Amino-5-aminosulfonyl-4-chloro-N-(2-methylphenyl)benzamide,
2-AMINO-5-(AMINOSULFONYL)-4-CHLORO-N-(O-TOLYL)BENZAMIDE,
CID90079,
C14-H14-Cl-N3-O3-S,
2-amino-5- -4-chloro-N- benzamide,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.794g/mol |
| Monoisotopic Mass | 339.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number