| CAS Number | 379255-74-0 |
| Catalog Number | AG00C6UH |
| Chemical Name | 3-[methyl(4-methylphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[methyl-(4-methylphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H15NO4S/c1-11-6-8-13(9-7-11)16(2)21(19,20)14-5-3-4-12(10-14)15(17)18/h3-10H,1-2H3,(H,17,18) |
| InChI Key | MRWUMIFMAAZEJD-UHFFFAOYSA-N |
| MDL Number | MFCD03147398 |
| Molecular Formula | C15H15NO4S |
| Molecular Weight | 305.3489 |
| SMILES | O=C(O)C1=CC=CC(S(=O)(N(C)C2=CC=C(C)C=C2)=O)=C1 |
| Synonyms | 3-(Methyl-p-tolyl-sulfamoyl)-benzoic acid,
379255-74-0,
3-[methyl(4-methylphenyl)sulfamoyl]benzoic acid,
3-(N-Methyl-N-(p-tolyl)sulfamoyl)benzoic acid,
3-[methyl-(4-methylphenyl)sulfamoyl]benzoic Acid,
AC1M6OLH,
Oprea1_495195,
AC1Q3X35,
CTK8F4743,
ZINC3311653,
AKOS000114919,
MCULE-3065936488,
NE23490,
3-(methyl-p-tolylsulfamoyl)benzoic acid,
EN300-00529,
J-510918,
Z56869009,
CID2427383,
2-methyl-2-(4-phenylpiperazin-1-yl)propanenitrile,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.348g/mol |
| Monoisotopic Mass | 305.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number