2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C11H12ClFN2O3S — CID 115630700

IUPAC2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2cc(F)ccc2Cl)CN1
InChIInChI=1S/C11H12ClFN2O3S/c12-9-3-1-7(13)5-10(9)19(17,18)15-8-2-4-11(16)14-6-8/h1,3,5,8,15H,2,4,6H2,(H,14,16)
InChIKeyGKKSPIGNRZCRMZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.04
Rot. Bonds3

About 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide

2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 115630700) has the molecular formula C11H12ClFN2O3S and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID115630700
Molecular FormulaC11H12ClFN2O3S
Molecular Weight306.75 g/mol
Exact Mass306.02
IUPAC Name2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2cc(F)ccc2Cl)CN1
InChIInChI=1S/C11H12ClFN2O3S/c12-9-3-1-7(13)5-10(9)19(17,18)15-8-2-4-11(16)14-6-8/h1,3,5,8,15H,2,4,6H2,(H,14,16)
InChIKeyGKKSPIGNRZCRMZ-UHFFFAOYSA-N
XLogP1.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-((2-Chlorophenyl)sulfonyl)piperazin-2-one
CID 7509966
4-Chloro-N-(2-oxo-azepan-3-yl)-benzenesulfonamide
CID 2738683
1-(4-Chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid cyclohexylamide
CID 3154066
1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
CID 57398545
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 856925
2-{[(4-chlorophenyl)sulfonyl]amino}-N-cyclohexylacetamide
CID 4800085
1-(4-Chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid sec-butylamide
CID 3154065
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 16312810
2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
CID 25023562
2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 39982773
2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide
CID 44565332
2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide
CID 44565333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 115630700) is 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide is O=C1CCC(NS(=O)(=O)c2cc(F)ccc2Cl)CN1.
What is the InChIKey of 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is GKKSPIGNRZCRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3S/c12-9-3-1-7(13)5-10(9)19(17,18)15-8-2-4-11(16)14-6-8/h1,3,5,8,15H,2,4,6H2,(H,14,16).
What are the key properties of 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 306.75 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 115630700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).