| CAS Number | 436091-72-4 |
| Catalog Number | AG01A7LE |
| Chemical Name | 4-{[(thiophen-2-yl)methyl]sulfamoyl}benzoic acid |
| IUPAC Name | 4-(thiophen-2-ylmethylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C12H11NO4S2/c14-12(15)9-3-5-11(6-4-9)19(16,17)13-8-10-2-1-7-18-10/h1-7,13H,8H2,(H,14,15) |
| InChI Key | OKDYLUDKXORYHF-UHFFFAOYSA-N |
| MDL Number | MFCD02750859 |
| Molecular Formula | C12H11NO4S2 |
| Molecular Weight | 297.3500 |
| SMILES | OC(C1=CC=C(S(NCC2SC=CC=2)(=O)=O)C=C1)=O |
| Synonyms | 4-[(thiophen-2-ylmethyl)sulfamoyl]benzoic acid,
436091-72-4,
ASN 03576791,
AC1LHE7R,
Oprea1_146220,
AC1Q737R,
SCHEMBL10288218,
CTK7I8144,
ZINC417648,
AKOS000736978,
MCULE-7825031221,
NE32626,
4-(thiophen-2-ylmethylsulfamoyl)benzoic acid,
EN300-59072,
4-[(Thiophen-2-ylmethyl)-sulfamoyl]-benzoic acid,
4-{[(thiophen-2-yl)methyl]sulfamoyl}benzoic acid,
Z53022773,
CID861491,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.343g/mol |
| Monoisotopic Mass | 297.013g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number