| CAS Number | 65019-55-8 |
| Catalog Number | AG00ECHA |
| Chemical Name | 4-((4-Acetamidophenylsulfonamido)methyl)benzoic acid |
| IUPAC Name | 4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoic acid |
| InChI | InChI=1S/C16H16N2O5S/c1-11(19)18-14-6-8-15(9-7-14)24(22,23)17-10-12-2-4-13(5-3-12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21) |
| InChI Key | HZDGWUPMRIQILX-UHFFFAOYSA-N |
| MDL Number | MFCD03830496 |
| Molecular Formula | C16H16N2O5S |
| Molecular Weight | 348.3736 |
| SMILES | CC(NC1=CC=C(S(=O)(NCC2=CC=C(C(O)=O)C=C2)=O)C=C1)=O |
| Synonyms | 65019-55-8,
4-((4-acetamidophenylsulfonamido)methyl)benzoic acid,
4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]benzoic acid,
4-(4-acetamidobenzenesulfonamidomethyl)benzoic acid,
4-[([[4-(acetylamino)phenyl]sulfonyl]amino)methyl]benzoic acid,
4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoic Acid,
AC1LGN2O,
AC1Q1KTK,
CTK6A0886,
ZINC260180,
BBL030112,
MFCD03830496,
STK643513,
AKOS000117278,
MCULE-7915068533,
NE28471,
EU-0029957,
EN300-10156,
J-514185,
CID774156,
|
| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.373g/mol |
| Monoisotopic Mass | 348.078g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number