| CAS Number | 436091-85-9 |
| Catalog Number | AG019K2D |
| Chemical Name | 4-[(butan-2-yl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-(butan-2-ylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C11H15NO4S/c1-3-8(2)12-17(15,16)10-6-4-9(5-7-10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14) |
| InChI Key | WANWYPLZKGZMTG-UHFFFAOYSA-N |
| MDL Number | MFCD04035136 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | CCC(NS(C1=CC=C(C(O)=O)C=C1)(=O)=O)C |
| Synonyms | 4-[(butan-2-yl)sulfamoyl]benzoic acid,
4-[(sec-butylamino)sulfonyl]benzoic acid,
436091-85-9,
4-(butan-2-ylsulfamoyl)benzoic Acid,
AC1Q2SCB,
AC1NFT53,
SCHEMBL16197361,
CTK6C9461,
AKOS001078682,
AKOS016598168,
MCULE-4056244564,
NE12799,
EN300-11034,
SR-01000058752,
SR-01000058752-1,
Z53035370,
CID4713531,
|
| Complexity | 352 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number