| CAS Number | 790271-04-4 |
| Catalog Number | AG00G8JF |
| Chemical Name | 3-[(2-Methylpropyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-(2-methylpropylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C11H15NO4S/c1-8(2)7-12-17(15,16)10-5-3-4-9(6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14) |
| InChI Key | GJTAKJCYTBUBKE-UHFFFAOYSA-N |
| MDL Number | MFCD06357870 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | CC(CNS(C1=CC(C(O)=O)=CC=C1)(=O)=O)C |
| Synonyms | 3-[(2-methylpropyl)sulfamoyl]benzoic acid,
790271-04-4,
3-[(isobutylamino)sulfonyl]benzoic acid,
3-[[(2-methylpropyl)amino]sulfonyl]Benzoic acid,
3-(2-methylpropylsulfamoyl)benzoic Acid,
AC1Q1PQA,
AC1M8G5Q,
SCHEMBL11098918,
CTK6A8735,
ZINC3394185,
MFCD06357870,
AKOS008949714,
MCULE-5306148908,
NE59975,
FT-0712259,
EN300-11031,
SR-01000058750,
SR-01000058750-1,
Z53039542,
CID2512624,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.304g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number