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

C11H12ClFN2O3S — CID 62492333

IUPAC3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2cccc(Cl)c2F)CN1
InChIInChI=1S/C11H12ClFN2O3S/c12-8-2-1-3-9(11(8)13)19(17,18)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6H2,(H,14,16)
InChIKeyXADNODJSVGPWSC-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.04
Rot. Bonds3

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

3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 62492333) has the molecular formula C11H12ClFN2O3S and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID62492333
Molecular FormulaC11H12ClFN2O3S
Molecular Weight306.75 g/mol
Exact Mass306.02
IUPAC Name3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2cccc(Cl)c2F)CN1
InChIInChI=1S/C11H12ClFN2O3S/c12-8-2-1-3-9(11(8)13)19(17,18)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6H2,(H,14,16)
InChIKeyXADNODJSVGPWSC-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 62492333) is 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide is O=C1CCC(NS(=O)(=O)c2cccc(Cl)c2F)CN1.
What is the InChIKey of 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is XADNODJSVGPWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3S/c12-8-2-1-3-9(11(8)13)19(17,18)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6H2,(H,14,16).
What are the key properties of 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
3-chloro-2-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 3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62492333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).