1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide

C21H22ClN3O3S — CID 71704211

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide
SMILESCn1ccc2c(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc21
InChIInChI=1S/C21H22ClN3O3S/c1-24-12-11-18-19(3-2-4-20(18)24)23-21(26)15-9-13-25(14-10-15)29(27,28)17-7-5-16(22)6-8-17/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,23,26)
InChIKeyOPWCYBZGWXLJCS-UHFFFAOYSA-N
MW431.95 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide (PubChem CID 71704211) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide
PubChem CID71704211
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide
SMILESCn1ccc2c(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc21
InChIInChI=1S/C21H22ClN3O3S/c1-24-12-11-18-19(3-2-4-20(18)24)23-21(26)15-9-13-25(14-10-15)29(27,28)17-7-5-16(22)6-8-17/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,23,26)
InChIKeyOPWCYBZGWXLJCS-UHFFFAOYSA-N
XLogP3.87
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 53.87
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-(4-chlorophenyl)sulfonyl-N-(1H-indol-4-yl)piperidine-4-carboxamide
CID 71704081
methyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1326683
1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 39498100
N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26087240
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 9074610
1-(4-chlorophenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 100798905

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide (CID 71704211) is 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide is Cn1ccc2c(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide?
The InChIKey is OPWCYBZGWXLJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-24-12-11-18-19(3-2-4-20(18)24)23-21(26)15-9-13-25(14-10-15)29(27,28)17-7-5-16(22)6-8-17/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1-methylindol-4-yl)piperidine-4-carboxamide has a molecular weight of 431.95 g/mol, XLogP of 3.87, 4 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-(1-methylindol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71704211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).