2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide

C20H21N3O4S — CID 113016171

IUPAC2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3ccccc3C)nc2)c1
InChIInChI=1S/C20H21N3O4S/c1-14-6-4-5-7-17(14)22-20-11-8-15(13-21-20)23-28(24,25)19-12-16(26-2)9-10-18(19)27-3/h4-13,23H,1-3H3,(H,21,22)
InChIKeyFVWIYQKKCRGXAD-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.95
Rot. Bonds7

About 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide

2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016171) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016171
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3ccccc3C)nc2)c1
InChIInChI=1S/C20H21N3O4S/c1-14-6-4-5-7-17(14)22-20-11-8-15(13-21-20)23-28(24,25)19-12-16(26-2)9-10-18(19)27-3/h4-13,23H,1-3H3,(H,21,22)
InChIKeyFVWIYQKKCRGXAD-UHFFFAOYSA-N
XLogP3.95
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
2-methoxy-5-methyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]benzenesulfonamide
CID 113023382
methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016532
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113034137
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016171) is 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3ccccc3C)nc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is FVWIYQKKCRGXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14-6-4-5-7-17(14)22-20-11-8-15(13-21-20)23-28(24,25)19-12-16(26-2)9-10-18(19)27-3/h4-13,23H,1-3H3,(H,21,22).
What are the key properties of 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide?
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).