2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C12H15ClN2O3S — CID 62491455

IUPAC2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(=O)NC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3S/c1-8-2-4-11(10(13)6-8)19(17,18)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyJSKLVSORDFPBAD-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.21
Rot. Bonds3

About 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide

2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 62491455) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID62491455
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(=O)NC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3S/c1-8-2-4-11(10(13)6-8)19(17,18)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyJSKLVSORDFPBAD-UHFFFAOYSA-N
XLogP1.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 62491455) is 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(=O)NC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is JSKLVSORDFPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-8-2-4-11(10(13)6-8)19(17,18)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16).
What are the key properties of 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 302.78 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62491455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).