4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide

C19H19N3O2S — CID 113016153

IUPAC4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3C)nc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-7-10-17(11-8-14)25(23,24)22-16-9-12-19(20-13-16)21-18-6-4-3-5-15(18)2/h3-13,22H,1-2H3,(H,20,21)
InChIKeyXXOZETFTKPQZGA-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.24
Rot. Bonds5

About 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide

4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016153) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016153
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3C)nc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-7-10-17(11-8-14)25(23,24)22-16-9-12-19(20-13-16)21-18-6-4-3-5-15(18)2/h3-13,22H,1-2H3,(H,20,21)
InChIKeyXXOZETFTKPQZGA-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016153) is 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3C)nc2)cc1.
What is the InChIKey of 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is XXOZETFTKPQZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-7-10-17(11-8-14)25(23,24)22-16-9-12-19(20-13-16)21-18-6-4-3-5-15(18)2/h3-13,22H,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide?
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).