1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide

C21H25ClN2O4S — CID 39498100

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O4S/c1-15(2)28-20-6-4-3-5-19(20)23-21(25)16-11-13-24(14-12-16)29(26,27)18-9-7-17(22)8-10-18/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)
InChIKeyJOKNUEJDCWXPDP-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.17
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 39498100) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID39498100
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O4S/c1-15(2)28-20-6-4-3-5-19(20)23-21(25)16-11-13-24(14-12-16)29(26,27)18-9-7-17(22)8-10-18/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)
InChIKeyJOKNUEJDCWXPDP-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1326683
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 39499198
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26115362
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
1-(4-methylphenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 100648054
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 24624366
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 39633304

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 39498100) is 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide is CC(C)Oc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is JOKNUEJDCWXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-15(2)28-20-6-4-3-5-19(20)23-21(25)16-11-13-24(14-12-16)29(26,27)18-9-7-17(22)8-10-18/h3-10,15-16H,11-14H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 436.96 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 39498100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).