| CAS Number | 690645-95-5 |
| Catalog Number | AG00FFU9(AGN-PC-0WBQAO) |
| Chemical Name | 1-[3-(trifluoromethyl)benzenesulfonamido]cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-[[3-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C14H16F3NO4S/c15-14(16,17)10-5-4-6-11(9-10)23(21,22)18-13(12(19)20)7-2-1-3-8-13/h4-6,9,18H,1-3,7-8H2,(H,19,20) |
| InChI Key | DDEMDTVJTHGHDA-UHFFFAOYSA-N |
| MDL Number | MFCD05866546 |
| Molecular Formula | C14H16F3NO4S |
| Molecular Weight | 351.3413 |
| SMILES | OC(C1(NS(C2=CC(C(F)(F)F)=CC=C2)(=O)=O)CCCCC1)=O |
| Synonyms | 690645-95-5,
1-((3-(trifluoromethyl)phenyl)sulfonamido)cyclohexane-1-carboxylic acid,
MFCD05866546,
1-[3-(Trifluoromethyl)phenylsulfonylamino]cyclohexanecarboxylic acid,
AC1M3OFX,
SCHEMBL7066513,
ZINC2889455,
1-[[3-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic Acid,
AKOS000813181,
MCULE-2682990578,
VU0618380-1,
F3394-1122,
CID2241577,
|
| Complexity | 535 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.34g/mol |
| Monoisotopic Mass | 351.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number