1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid

C12H15ClN2O4S — CID 60858072

IUPAC1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H15ClN2O4S/c13-10-1-3-11(4-2-10)14-20(18,19)15-7-5-9(6-8-15)12(16)17/h1-4,9,14H,5-8H2,(H,16,17)
InChIKeyKVLHWNFIXBRATD-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.79
Rot. Bonds4

About 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid

1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60858072) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60858072
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H15ClN2O4S/c13-10-1-3-11(4-2-10)14-20(18,19)15-7-5-9(6-8-15)12(16)17/h1-4,9,14H,5-8H2,(H,16,17)
InChIKeyKVLHWNFIXBRATD-UHFFFAOYSA-N
XLogP1.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859391
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859379
1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79090563
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65482449
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858929
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
CID 61398444

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60858072) is 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is KVLHWNFIXBRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-10-1-3-11(4-2-10)14-20(18,19)15-7-5-9(6-8-15)12(16)17/h1-4,9,14H,5-8H2,(H,16,17).
What are the key properties of 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 318.78 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60858072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).