| CAS Number | 565192-80-5 |
| Catalog Number | AG00ECKA |
| Chemical Name | 4-Chloro-3-[(4-fluorophenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid |
| InChI | InChI=1S/C16H13ClFNO4S/c1-2-9-19(13-6-4-12(18)5-7-13)24(22,23)15-10-11(16(20)21)3-8-14(15)17/h2-8,10H,1,9H2,(H,20,21) |
| InChI Key | BNLMJDUQUYBCLZ-UHFFFAOYSA-N |
| MDL Number | MFCD03965814 |
| Molecular Formula | C16H13ClFNO4S |
| Molecular Weight | 369.7951 |
| SMILES | O=C(O)C1=CC=C(Cl)C(S(=O)(N(C2=CC=C(F)C=C2)CC=C)=O)=C1 |
| Synonyms | 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid,
565192-80-5,
4-chloro-3-[(4-fluorophenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid,
EN300-05027,
AC1Q72RM,
AC1M60E9,
CTK5J4432,
ZINC3272765,
AKOS034463806,
MCULE-7595450385,
NE12682,
SR-01000039811,
J-511477,
SR-01000039811-1,
Z56889014,
3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chlorobenzoic acid,
4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid,
CID2388817,
4-chloro-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoic Acid,
|
| Complexity | 557 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.791g/mol |
| Monoisotopic Mass | 369.024g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number