| CAS Number | 7385-16-2 |
| Catalog Number | AG00FGVU(AGN-PC-0WOJ4C) |
| Chemical Name | 3-(Butylsulfamoyl)benzoic acid |
| IUPAC Name | 3-(butylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C11H15NO4S/c1-2-3-7-12-17(15,16)10-6-4-5-9(8-10)11(13)14/h4-6,8,12H,2-3,7H2,1H3,(H,13,14) |
| InChI Key | QQZLEFLDGXHDDP-UHFFFAOYSA-N |
| MDL Number | MFCD09041593 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | CCCCNS(=O)(=O)c1cccc(c1)C(=O)O |
| Synonyms | 3-(N-Butylsulfamoyl)benzoic acid,
7385-16-2,
3-(butylsulfamoyl)benzoic acid,
3-[(BUTYLAMINO)SULFONYL]BENZOIC ACID,
ACMC-209osi,
m-butylaminosulfonyl-benzoic acid,
CTK6E2973,
DTXSID50588025,
ANW-36400,
KM1573,
MFCD09041593,
STK874298,
ZINC13340454,
AKOS000123694,
MCULE-4314088720,
AJ-63670,
TC-125145,
ST24022624,
V7555,
C11H15NO4S,
3-(N-Butylsulfamoyl)benzoicacid,
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| Complexity | 347 |
| 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 | 6 |
| 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
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Certificate of Analysis
Lot Number