4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide

C12H11ClN2O2S — CID 686176

IUPAC4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2S/c1-9-3-2-4-12(14-9)15-18(16,17)11-7-5-10(13)6-8-11/h2-8H,1H3,(H,14,15)
InChIKeyOWTMVNXTSRLIBJ-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.84
Rot. Bonds3

About 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide

4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 686176) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID686176
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2S/c1-9-3-2-4-12(14-9)15-18(16,17)11-7-5-10(13)6-8-11/h2-8H,1H3,(H,14,15)
InChIKeyOWTMVNXTSRLIBJ-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 686176) is 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is OWTMVNXTSRLIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-9-3-2-4-12(14-9)15-18(16,17)11-7-5-10(13)6-8-11/h2-8H,1H3,(H,14,15).
What are the key properties of 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 686176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).