| CAS Number | 379729-52-9 |
| Catalog Number | AG00C6TL |
| Chemical Name | 3-(4-(n-(3-(Trifluoromethyl)phenyl)sulfamoyl)phenyl)acrylic acid |
| IUPAC Name | (E)-3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C16H12F3NO4S/c17-16(18,19)12-2-1-3-13(10-12)20-25(23,24)14-7-4-11(5-8-14)6-9-15(21)22/h1-10,20H,(H,21,22)/b9-6+ |
| InChI Key | IZEATXHGLJMWIR-RMKNXTFCSA-N |
| MDL Number | MFCD03152771 |
| Molecular Formula | C16H12F3NO4S |
| Molecular Weight | 371.3310 |
| SMILES | O=C(O)C=CC1=CC=C(S(=O)(NC2=CC=CC(C(F)(F)F)=C2)=O)C=C1 |
| Synonyms | 3-[4-(3-Trifluoromethyl-phenylsulfamoyl)-phenyl]-acrylic acid,
EN300-00602,
379729-52-9,
AC1M6BB7,
AC1Q71GN,
ZINC3227317,
AKOS000114950,
NE12416,
J-511469,
3-[4-(3-trifluoromethylphenylsulfamoyl)phenyl]acrylic acid,
(E)-3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoic acid,
(2E)-3-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFAMOYL}PHENYL)PROP-2-ENOIC ACID,
CID2345510,
3-(4-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)prop-2-enoic acid,
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoic Acid,
|
| Complexity | 590 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 371.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.33g/mol |
| Monoisotopic Mass | 371.044g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number