6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide

C13H13ClN2O2S — CID 56805912

IUPAC6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccccc2)cnc1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-10-8-12(9-15-13(10)14)19(17,18)16(2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyZUAWOEGMGBSPRL-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.87
Rot. Bonds3

About 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide

6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 56805912) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide
PubChem CID56805912
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccccc2)cnc1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-10-8-12(9-15-13(10)14)19(17,18)16(2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyZUAWOEGMGBSPRL-UHFFFAOYSA-N
XLogP2.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.87
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-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
5-chloro-6-(ethylamino)-N-methyl-N-phenylpyridine-3-sulfonamide
CID 64606805
N-methyl-2-(methylamino)-N-phenylpyrimidine-5-sulfonamide
CID 62148831
5-amino-N-methyl-N-phenylpyridine-3-sulfonamide
CID 82222998
6-chloro-5-methylpyridine-3-sulfonic acid
CID 87212324
2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43427433
3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide
CID 23206269
6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 64602647
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 64600904
N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide (CID 56805912) is 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide is Cc1cc(S(=O)(=O)N(C)c2ccccc2)cnc1Cl.
What is the InChIKey of 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is ZUAWOEGMGBSPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-10-8-12(9-15-13(10)14)19(17,18)16(2)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide?
6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 56805912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).