1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid

C13H17ClN2O4S — CID 60859391

IUPAC1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCc1c(Cl)cccc1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H17ClN2O4S/c1-9-11(14)3-2-4-12(9)15-21(19,20)16-7-5-10(6-8-16)13(17)18/h2-4,10,15H,5-8H2,1H3,(H,17,18)
InChIKeyGCPMZVWAFXSYDK-UHFFFAOYSA-N
MW332.81 g/mol
LogP2.10
Rot. Bonds4

About 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid

1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60859391) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60859391
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCc1c(Cl)cccc1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H17ClN2O4S/c1-9-11(14)3-2-4-12(9)15-21(19,20)16-7-5-10(6-8-16)13(17)18/h2-4,10,15H,5-8H2,1H3,(H,17,18)
InChIKeyGCPMZVWAFXSYDK-UHFFFAOYSA-N
XLogP2.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859379
N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
CID 28775732
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380
1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858072
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79090563
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 9074610
1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 26115202
N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26115158

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60859391) is 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid is Cc1c(Cl)cccc1NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is GCPMZVWAFXSYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-9-11(14)3-2-4-12(9)15-21(19,20)16-7-5-10(6-8-16)13(17)18/h2-4,10,15H,5-8H2,1H3,(H,17,18).
What are the key properties of 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 332.81 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60859391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).