N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide

C13H13ClN2O2S — CID 103744916

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-5-3-4-6-12(9)19(17,18)16-11-7-10(2)13(14)15-8-11/h3-8,16H,1-2H3
InChIKeyVBUPOZFKZAGPCC-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.15
Rot. Bonds3

About N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 103744916) 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)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID103744916
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-5-3-4-6-12(9)19(17,18)16-11-7-10(2)13(14)15-8-11/h3-8,16H,1-2H3
InChIKeyVBUPOZFKZAGPCC-UHFFFAOYSA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.15
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-fluorobenzenesulfonamide
CID 103744911
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
CID 103744866
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 103761376
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide
CID 103868547
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
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-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide (CID 103744916) is N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is VBUPOZFKZAGPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-9-5-3-4-6-12(9)19(17,18)16-11-7-10(2)13(14)15-8-11/h3-8,16H,1-2H3.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 3.15, 3 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)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103744916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).