1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide

C12H14ClFN2O3S — CID 18086440

IUPAC1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C12H14ClFN2O3S/c13-9-3-4-11(10(14)6-9)20(18,19)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7H2,(H2,15,17)
InChIKeyHUXFPJUNYGXNOA-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.37
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide

1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 18086440) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID18086440
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC Name1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C12H14ClFN2O3S/c13-9-3-4-11(10(14)6-9)20(18,19)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7H2,(H2,15,17)
InChIKeyHUXFPJUNYGXNOA-UHFFFAOYSA-N
XLogP1.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63845886
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
(3S)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 78923457
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191
(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641842
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 18086440) is 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HUXFPJUNYGXNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/c13-9-3-4-11(10(14)6-9)20(18,19)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7H2,(H2,15,17).
What are the key properties of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide?
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 320.77 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 18086440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).