N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide

C12H11ClN2O2S — CID 66545246

IUPACN-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H11ClN2O2S/c1-9-4-2-3-5-11(9)18(16,17)15-10-6-7-12(13)14-8-10/h2-8,15H,1H3
InChIKeyMLENHBRKEROBDL-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.84
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide

N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 66545246) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID66545246
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H11ClN2O2S/c1-9-4-2-3-5-11(9)18(16,17)15-10-6-7-12(13)14-8-10/h2-8,15H,1H3
InChIKeyMLENHBRKEROBDL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113023281
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 42691246
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
CID 102990036

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide (CID 66545246) is N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is MLENHBRKEROBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-9-4-2-3-5-11(9)18(16,17)15-10-6-7-12(13)14-8-10/h2-8,15H,1H3.
What are the key properties of N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide 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 N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 66545246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).