N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide

C24H22ClF4N3O3S — CID 134203424

IUPACN-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2cn(-c3ccc(C(F)(F)F)cc3)nc2Cl)CCCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H22ClF4N3O3S/c1-23(12-2-3-20(23)36(34,35)19-10-6-17(26)7-11-19)22(33)30-13-15-14-32(31-21(15)25)18-8-4-16(5-9-18)24(27,28)29/h4-11,14,20H,2-3,12-13H2,1H3,(H,30,33)
InChIKeySSFBTXCTOUIVNI-UHFFFAOYSA-N
MW543.97 g/mol
LogP5.33
Rot. Bonds6

About N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide

N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide (PubChem CID 134203424) has the molecular formula C24H22ClF4N3O3S and a molecular weight of 543.97 g/mol. Its IUPAC name is N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide
PubChem CID134203424
Molecular FormulaC24H22ClF4N3O3S
Molecular Weight543.97 g/mol
Exact Mass543.10
IUPAC NameN-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2cn(-c3ccc(C(F)(F)F)cc3)nc2Cl)CCCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H22ClF4N3O3S/c1-23(12-2-3-20(23)36(34,35)19-10-6-17(26)7-11-19)22(33)30-13-15-14-32(31-21(15)25)18-8-4-16(5-9-18)24(27,28)29/h4-11,14,20H,2-3,12-13H2,1H3,(H,30,33)
InChIKeySSFBTXCTOUIVNI-UHFFFAOYSA-N
XLogP5.33
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.97
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide (CID 134203424) is N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCc2cn(-c3ccc(C(F)(F)F)cc3)nc2Cl)CCCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide?
The InChIKey is SSFBTXCTOUIVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF4N3O3S/c1-23(12-2-3-20(23)36(34,35)19-10-6-17(26)7-11-19)22(33)30-13-15-14-32(31-21(15)25)18-8-4-16(5-9-18)24(27,28)29/h4-11,14,20H,2-3,12-13H2,1H3,(H,30,33).
What are the key properties of N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide?
N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide has a molecular weight of 543.97 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 134203424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).