(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide

C19H21ClN2O3S — CID 8760667

IUPAC(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-10-17(11-9-14)26(24,25)22-12-3-2-7-18(22)19(23)21-16-6-4-5-15(20)13-16/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyYKHGRQVCSZMVQS-SFHVURJKSA-N
MW392.91 g/mol
LogP3.83
Rot. Bonds4

About (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide

(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 8760667) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID8760667
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-10-17(11-9-14)26(24,25)22-12-3-2-7-18(22)19(23)21-16-6-4-5-15(20)13-16/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyYKHGRQVCSZMVQS-SFHVURJKSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 42949023
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)pyrrolidine-2-carboxamide
CID 16924892
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131
(2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8700873

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide (CID 8760667) is (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is YKHGRQVCSZMVQS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-8-10-17(11-9-14)26(24,25)22-12-3-2-7-18(22)19(23)21-16-6-4-5-15(20)13-16/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 8760667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).