6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide

C12H11ClN2O2S — CID 2529980

IUPAC6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H11ClN2O2S/c1-15(10-5-3-2-4-6-10)18(16,17)11-7-8-12(13)14-9-11/h2-9H,1H3
InChIKeyMSRQCQZHDPDRCI-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.56
Rot. Bonds3

About 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide

6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide (PubChem CID 2529980) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
PubChem CID2529980
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H11ClN2O2S/c1-15(10-5-3-2-4-6-10)18(16,17)11-7-8-12(13)14-9-11/h2-9H,1H3
InChIKeyMSRQCQZHDPDRCI-UHFFFAOYSA-N
XLogP2.56
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 47310666
6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide
CID 56805912
N-methyl-2-(methylamino)-N-phenylpyrimidine-5-sulfonamide
CID 62148831
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 43429215
6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide
CID 26945524
5-chloro-6-(ethylamino)-N-methyl-N-phenylpyridine-3-sulfonamide
CID 64606805
2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43427433
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102631872
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide (CID 2529980) is 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is MSRQCQZHDPDRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-15(10-5-3-2-4-6-10)18(16,17)11-7-8-12(13)14-9-11/h2-9H,1H3.
What are the key properties of 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide?
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 2529980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).