(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C22H27ClN2O3S — CID 1456847

IUPAC(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1Cl
InChIInChI=1S/C22H27ClN2O3S/c1-15(2)17-7-9-19(10-8-17)24-22(26)18-5-4-12-25(14-18)29(27,28)20-11-6-16(3)21(23)13-20/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyZGYAXXBIQVNPHY-GOSISDBHSA-N
MW434.99 g/mol
LogP4.81
Rot. Bonds5

About (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 1456847) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID1456847
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1Cl
InChIInChI=1S/C22H27ClN2O3S/c1-15(2)17-7-9-19(10-8-17)24-22(26)18-5-4-12-25(14-18)29(27,28)20-11-6-16(3)21(23)13-20/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyZGYAXXBIQVNPHY-GOSISDBHSA-N
XLogP4.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-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

1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3214784
methyl N-[4-[(3R)-3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190398
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 1456902
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1456875
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126398535
(3S)-N-(4-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302313

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 1456847) is (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1Cl.
What is the InChIKey of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is ZGYAXXBIQVNPHY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-15(2)17-7-9-19(10-8-17)24-22(26)18-5-4-12-25(14-18)29(27,28)20-11-6-16(3)21(23)13-20/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 434.99 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 1456847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).