4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide

C19H19N3O4S — CID 15175083

IUPAC4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(Nc2ncccc2NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-25-15-7-5-14(6-8-15)21-19-18(4-3-13-20-19)22-27(23,24)17-11-9-16(26-2)10-12-17/h3-13,22H,1-2H3,(H,20,21)
InChIKeyCIPWYPVRAZFFCI-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.64
Rot. Bonds7

About 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide

4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 15175083) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID15175083
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(Nc2ncccc2NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-25-15-7-5-14(6-8-15)21-19-18(4-3-13-20-19)22-27(23,24)17-11-9-16(26-2)10-12-17/h3-13,22H,1-2H3,(H,20,21)
InChIKeyCIPWYPVRAZFFCI-UHFFFAOYSA-N
XLogP3.64
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide (CID 15175083) is 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide is COc1ccc(Nc2ncccc2NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is CIPWYPVRAZFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-15-7-5-14(6-8-15)21-19-18(4-3-13-20-19)22-27(23,24)17-11-9-16(26-2)10-12-17/h3-13,22H,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide?
4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 15175083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).