1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid

C12H14F2N2O4S — CID 61075380

IUPAC1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nc2cccc(F)c2F)CC1
InChIInChI=1S/C12H14F2N2O4S/c13-9-2-1-3-10(11(9)14)15-21(19,20)16-6-4-8(5-7-16)12(17)18/h1-3,8,15H,4-7H2,(H,17,18)
InChIKeyOWMASGUADILVSU-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.42
Rot. Bonds4

About 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid

1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 61075380) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID61075380
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC Name1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nc2cccc(F)c2F)CC1
InChIInChI=1S/C12H14F2N2O4S/c13-9-2-1-3-10(11(9)14)15-21(19,20)16-6-4-8(5-7-16)12(17)18/h1-3,8,15H,4-7H2,(H,17,18)
InChIKeyOWMASGUADILVSU-UHFFFAOYSA-N
XLogP1.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.42
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
1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859391
1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858075
1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858072
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65482449
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79090563
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411
methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate
CID 43605594

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid (CID 61075380) is 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)Nc2cccc(F)c2F)CC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is OWMASGUADILVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-9-2-1-3-10(11(9)14)15-21(19,20)16-6-4-8(5-7-16)12(17)18/h1-3,8,15H,4-7H2,(H,17,18).
What are the key properties of 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 61075380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).