| CAS Number | 892878-71-6 |
| Catalog Number | AG00IFMO(AGN-PC-0WADWL) |
| Chemical Name | Methyl 4-(butane-1-sulfonamido)benzoate |
| IUPAC Name | methyl 4-(butylsulfonylamino)benzoate |
| InChI | InChI=1S/C12H17NO4S/c1-3-4-9-18(15,16)13-11-7-5-10(6-8-11)12(14)17-2/h5-8,13H,3-4,9H2,1-2H3 |
| InChI Key | JPOBDMZEQJKVKA-UHFFFAOYSA-N |
| MDL Number | MFCD05116247 |
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.3327 |
| SMILES | CCCCS(=O)(=O)Nc1ccc(cc1)C(=O)OC |
| Synonyms | METHYL 4-(BUTANE-1-SULFONAMIDO)BENZOATE,
892878-71-6,
methyl 4-[(butylsulfonyl)amino]benzoate,
4-(butylsulfonylamino)-benzoic acid methyl ester,
AC1O66I1,
SCHEMBL6090805,
ZINC6706532,
KM4003,
methyl 4-(butylsulfonylamino)benzoate,
STK475044,
AKOS003315793,
MCULE-2079413766,
ST50892359,
V8781,
C12H17NO4S,
ZINC06706532,
CID6468992,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.331g/mol |
| Monoisotopic Mass | 271.088g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number