4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide

C19H20N4O3S — CID 113027950

IUPAC4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)cn2)cc1C
InChIInChI=1S/C19H20N4O3S/c1-14-11-17(4-5-18(14)26-2)27(24,25)23-19-6-3-16(13-22-19)21-12-15-7-9-20-10-8-15/h3-11,13,21H,12H2,1-2H3,(H,22,23)
InChIKeyXFNUAKQZQYXZSZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.21
Rot. Bonds7

About 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide

4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113027950) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113027950
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)cn2)cc1C
InChIInChI=1S/C19H20N4O3S/c1-14-11-17(4-5-18(14)26-2)27(24,25)23-19-6-3-16(13-22-19)21-12-15-7-9-20-10-8-15/h3-11,13,21H,12H2,1-2H3,(H,22,23)
InChIKeyXFNUAKQZQYXZSZ-UHFFFAOYSA-N
XLogP3.21
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958
4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012992
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide (CID 113027950) is 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)cn2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is XFNUAKQZQYXZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-11-17(4-5-18(14)26-2)27(24,25)23-19-6-3-16(13-22-19)21-12-15-7-9-20-10-8-15/h3-11,13,21H,12H2,1-2H3,(H,22,23).
What are the key properties of 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113027950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).