1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide

C21H23ClN2O4S — CID 26115202

IUPAC1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)c1
InChIInChI=1S/C21H23ClN2O4S/c1-14-19(22)7-4-8-20(14)23-21(26)16-9-11-24(12-10-16)29(27,28)18-6-3-5-17(13-18)15(2)25/h3-8,13,16H,9-12H2,1-2H3,(H,23,26)
InChIKeyWSRVVOKCXTWHMC-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide

1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide (PubChem CID 26115202) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
PubChem CID26115202
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC Name1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)c1
InChIInChI=1S/C21H23ClN2O4S/c1-14-19(22)7-4-8-20(14)23-21(26)16-9-11-24(12-10-16)29(27,28)18-6-3-5-17(13-18)15(2)25/h3-8,13,16H,9-12H2,1-2H3,(H,23,26)
InChIKeyWSRVVOKCXTWHMC-UHFFFAOYSA-N
XLogP3.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123306
N-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935229
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 9074610
1-(3-acetylphenyl)sulfonyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 24573053
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 126364089
N-(3-chloro-2-methylphenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028338

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide (CID 26115202) is 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide is CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is WSRVVOKCXTWHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c1-14-19(22)7-4-8-20(14)23-21(26)16-9-11-24(12-10-16)29(27,28)18-6-3-5-17(13-18)15(2)25/h3-8,13,16H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide?
1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 434.95 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26115202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).