N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide

C19H19N3O3S — CID 113034137

IUPACN-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)nc2)c1
InChIInChI=1S/C19H19N3O3S/c1-14-6-3-4-9-18(14)26(23,24)22-19-11-10-16(13-20-19)21-15-7-5-8-17(12-15)25-2/h3-13,21H,1-2H3,(H,20,22)
InChIKeyOHYRJZBDAMBCSF-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.94
Rot. Bonds6

About N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide

N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 113034137) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID113034137
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)nc2)c1
InChIInChI=1S/C19H19N3O3S/c1-14-6-3-4-9-18(14)26(23,24)22-19-11-10-16(13-20-19)21-15-7-5-8-17(12-15)25-2/h3-13,21H,1-2H3,(H,20,22)
InChIKeyOHYRJZBDAMBCSF-UHFFFAOYSA-N
XLogP3.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113022826
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113023281
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113034396
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide (CID 113034137) is N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide is COc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)nc2)c1.
What is the InChIKey of N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is OHYRJZBDAMBCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-6-3-4-9-18(14)26(23,24)22-19-11-10-16(13-20-19)21-15-7-5-8-17(12-15)25-2/h3-13,21H,1-2H3,(H,20,22).
What are the key properties of N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide?
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113034137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).