(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide

C21H25ClN2O3S — CID 1456902

IUPAC(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C)C2)cc1Cl
InChIInChI=1S/C21H25ClN2O3S/c1-14-9-10-18(12-19(14)22)28(26,27)24-11-5-8-17(13-24)21(25)23-20-15(2)6-4-7-16(20)3/h4,6-7,9-10,12,17H,5,8,11,13H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyIEPLXZGBJSFBLO-QGZVFWFLSA-N
MW420.96 g/mol
LogP4.30
Rot. Bonds4

About (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide

(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 1456902) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
PubChem CID1456902
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C)C2)cc1Cl
InChIInChI=1S/C21H25ClN2O3S/c1-14-9-10-18(12-19(14)22)28(26,27)24-11-5-8-17(13-24)21(25)23-20-15(2)6-4-7-16(20)3/h4,6-7,9-10,12,17H,5,8,11,13H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyIEPLXZGBJSFBLO-QGZVFWFLSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3214784
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1456841
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1456847
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1456875
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1456855
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 1456805

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide (CID 1456902) is (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C)C2)cc1Cl.
What is the InChIKey of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is IEPLXZGBJSFBLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-14-9-10-18(12-19(14)22)28(26,27)24-11-5-8-17(13-24)21(25)23-20-15(2)6-4-7-16(20)3/h4,6-7,9-10,12,17H,5,8,11,13H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide?
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 420.96 g/mol, XLogP of 4.30, 4 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-(2,6-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 1456902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).