| CAS Number | 377769-51-2 |
| Catalog Number | AG00D5LF(AGN-PC-0WOI76) |
| Chemical Name | 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid |
| IUPAC Name | 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid |
| InChI | InChI=1S/C18H21NO4S/c1-3-4-5-14-7-9-15(10-8-14)19-24(22,23)16-11-6-13(2)17(12-16)18(20)21/h6-12,19H,3-5H2,1-2H3,(H,20,21) |
| InChI Key | OTSNMUDJXINAKM-UHFFFAOYSA-N |
| MDL Number | MFCD02714415 |
| Molecular Formula | C18H21NO4S |
| Molecular Weight | 347.4286 |
| SMILES | CCCCC1=CC=C(NS(C2=CC(C(O)=O)=C(C)C=C2)(=O)=O)C=C1 |
| Synonyms | 377769-51-2,
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid,
5-(N-(4-butylphenyl)sulfamoyl)-2-methylbenzoic acid,
5-(4-Butyl-phenylsulfamoyl)-2-methyl-benzoic acid,
5-[[(4-butylphenyl)amino]sulfonyl]-2-methylBenzoic acid,
AC1M5PCS,
AC1Q2VJX,
Oprea1_711795,
SCHEMBL1979255,
CTK6D6421,
OTSNMUDJXINAKM-UHFFFAOYSA-N,
ZINC3215151,
AKOS000115024,
MCULE-1949766876,
NE21705,
DA-06314,
FT-0756227,
EN300-00496,
Z45660286,
CID2333501,
5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoic Acid,
|
| Complexity | 506 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.429g/mol |
| Monoisotopic Mass | 347.119g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number