(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide

C20H23ClN2O4S — CID 2526254

IUPAC(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23ClN2O4S/c1-14-12-17(19(27-2)13-16(14)21)22-20(24)18-10-6-7-11-23(18)28(25,26)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyUAWABWHEBGLPAS-SFHVURJKSA-N
MW422.93 g/mol
LogP3.84
Rot. Bonds5

About (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide

(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide (PubChem CID 2526254) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide
PubChem CID2526254
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23ClN2O4S/c1-14-12-17(19(27-2)13-16(14)21)22-20(24)18-10-6-7-11-23(18)28(25,26)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyUAWABWHEBGLPAS-SFHVURJKSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide
CID 29447944
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
tert-butyl N-[5-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 55654774
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125
1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43926596
(2R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468417

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide (CID 2526254) is (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide?
The InChIKey is UAWABWHEBGLPAS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-12-17(19(27-2)13-16(14)21)22-20(24)18-10-6-7-11-23(18)28(25,26)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide?
(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide has a molecular weight of 422.93 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 2526254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).