N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide

C13H13ClN2O2S — CID 103868547

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccccc2)cnc1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-10-7-12(8-15-13(10)14)16-19(17,18)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKeyQJDOZXBZBJUEBY-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.99
Rot. Bonds4

About N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide

N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide (PubChem CID 103868547) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide
PubChem CID103868547
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccccc2)cnc1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-10-7-12(8-15-13(10)14)16-19(17,18)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKeyQJDOZXBZBJUEBY-UHFFFAOYSA-N
XLogP2.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.99
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

benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 167857534
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide
CID 75442539
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 91644529
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
1-(4-methylphenyl)-N-(5-phenyl-3-pyridinyl)methanesulfonamide
CID 110713753
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
CID 103744866
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide (CID 103868547) is N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide is Cc1cc(NS(=O)(=O)Cc2ccccc2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide?
The InChIKey is QJDOZXBZBJUEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-10-7-12(8-15-13(10)14)16-19(17,18)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide?
N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 103868547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).