| Drug Name |
US9695118, 8
|
| Synonyms |
SCHEMBL16528302; BDBM77168; YHSRDHPSFFNXQB-UHFFFAOYSA-N; US9695118, 8; N-(5-Chloro-2-ethanesulfonyl-benzyl)-3-trifluoromethyl-benzamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
405.8 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.8 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C17H15ClF3NO3S
- IUPAC Name
N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide - Canonical SMILES
-
CCS(=O)(=O)C1=C(C=C(C=C1)Cl)CNC(=O)C2=CC(=CC=C2)C(F)(F)F
- InChI
-
InChI=1S/C17H15ClF3NO3S/c1-2-26(24,25)15-7-6-14(18)9-12(15)10-22-16(23)11-4-3-5-13(8-11)17(19,20)21/h3-9H,2,10H2,1H3,(H,22,23)
- InChIKey
-
YHSRDHPSFFNXQB-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 72195071
- TTD ID
- D0DA4Y
|
|
|
|
|
|
|
|
