(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C20H20ClF3N2O4S — CID 41302518

IUPAC(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1
InChIInChI=1S/C20H20ClF3N2O4S/c1-30-15-5-7-16(8-6-15)31(28,29)26-10-2-3-13(12-26)19(27)25-18-11-14(20(22,23)24)4-9-17(18)21/h4-9,11,13H,2-3,10,12H2,1H3,(H,25,27)/t13-/m0/s1
InChIKeyTZDUMAWPGXMNLH-ZDUSSCGKSA-N
MW476.90 g/mol
LogP4.41
Rot. Bonds5

About (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 41302518) has the molecular formula C20H20ClF3N2O4S and a molecular weight of 476.90 g/mol. Its IUPAC name is (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID41302518
Molecular FormulaC20H20ClF3N2O4S
Molecular Weight476.90 g/mol
Exact Mass476.08
IUPAC Name(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1
InChIInChI=1S/C20H20ClF3N2O4S/c1-30-15-5-7-16(8-6-15)31(28,29)26-10-2-3-13(12-26)19(27)25-18-11-14(20(22,23)24)4-9-17(18)21/h4-9,11,13H,2-3,10,12H2,1H3,(H,25,27)/t13-/m0/s1
InChIKeyTZDUMAWPGXMNLH-ZDUSSCGKSA-N
XLogP4.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.90
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-(4-bromophenyl)sulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 126395199
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872831
N-(2-chloro-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24685730
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447130
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92676559
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519768
N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414147
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28549881
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863410
N-(2,5-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 4018187

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 41302518) is (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1.
What is the InChIKey of (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is TZDUMAWPGXMNLH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20ClF3N2O4S/c1-30-15-5-7-16(8-6-15)31(28,29)26-10-2-3-13(12-26)19(27)25-18-11-14(20(22,23)24)4-9-17(18)21/h4-9,11,13H,2-3,10,12H2,1H3,(H,25,27)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 476.90 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41302518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).