1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

C19H21ClN2O3S — CID 1326765

IUPAC1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-14-7-8-16(13-18(14)20)21-19(23)15-9-11-22(12-10-15)26(24,25)17-5-3-2-4-6-17/h2-8,13,15H,9-12H2,1H3,(H,21,23)
InChIKeyZLLLELPEUXPXTJ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.69
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 1326765) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID1326765
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-14-7-8-16(13-18(14)20)21-19(23)15-9-11-22(12-10-15)26(24,25)17-5-3-2-4-6-17/h2-8,13,15H,9-12H2,1H3,(H,21,23)
InChIKeyZLLLELPEUXPXTJ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 55885014
1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-(3-chloro-4-methylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53075988
1-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 50822700
1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 4962927
1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
CID 71904171
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
N-(3-chloro-4-methylphenyl)-1-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106086

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide (CID 1326765) is 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is ZLLLELPEUXPXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-7-8-16(13-18(14)20)21-19(23)15-9-11-22(12-10-15)26(24,25)17-5-3-2-4-6-17/h2-8,13,15H,9-12H2,1H3,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1326765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).