N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

C19H21ClN2O3S — CID 32681074

IUPACN-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14-7-8-18(17(20)13-14)26(24,25)22-11-9-16(10-12-22)21-19(23)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3,(H,21,23)
InChIKeyOCTKNJMXSAYCHX-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 32681074) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID32681074
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14-7-8-18(17(20)13-14)26(24,25)22-11-9-16(10-12-22)21-19(23)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3,(H,21,23)
InChIKeyOCTKNJMXSAYCHX-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 3218814
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 32680976
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446
4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 35400886

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 32681074) is N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is OCTKNJMXSAYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-7-8-18(17(20)13-14)26(24,25)22-11-9-16(10-12-22)21-19(23)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 392.91 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 32681074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).