(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide

C21H25ClN2O3S — CID 100780070

IUPAC(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c1
InChIInChI=1S/C21H25ClN2O3S/c1-14-6-7-15(2)20(11-14)28(26,27)24-10-4-5-17(13-24)21(25)23-19-9-8-18(22)12-16(19)3/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyNKVPRSBXIPNFKX-QGZVFWFLSA-N
MW420.96 g/mol
LogP4.30
Rot. Bonds4

About (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 100780070) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID100780070
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c1
InChIInChI=1S/C21H25ClN2O3S/c1-14-6-7-15(2)20(11-14)28(26,27)24-10-4-5-17(13-24)21(25)23-19-9-8-18(22)12-16(19)3/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyNKVPRSBXIPNFKX-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

N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 125061964
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
N-(3,5-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254941
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979
(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92725572
(3R)-N-(4-chloro-2-methylphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 93053111
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
N-(4-bromophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254953
1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 133254954
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 100780070) is (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c1.
What is the InChIKey of (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is NKVPRSBXIPNFKX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-14-6-7-15(2)20(11-14)28(26,27)24-10-4-5-17(13-24)21(25)23-19-9-8-18(22)12-16(19)3/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-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)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 100780070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).