2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide

C13H12Cl2N2O2S — CID 16644970

IUPAC2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-6-12(11(15)7-10(8)14)20(18,19)17-13-5-3-4-9(2)16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyHRSPXIIMLMOJIQ-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.81
Rot. Bonds3

About 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide

2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 16644970) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID16644970
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-6-12(11(15)7-10(8)14)20(18,19)17-13-5-3-4-9(2)16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyHRSPXIIMLMOJIQ-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 6463724
2,5-dimethoxy-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 6463553
4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 16644972
2-(methylamino)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 55044313
4-hydrazinyl-2,6-dimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 107327748
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)furan-3-sulfonamide
CID 106086878
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113456965
2-[(6-methyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 29050217
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 16644970) is 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is HRSPXIIMLMOJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-6-12(11(15)7-10(8)14)20(18,19)17-13-5-3-4-9(2)16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 16644970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).