2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide

C27H27N3O5S — CID 44581268

IUPAC2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c(OC)c1
InChIInChI=1S/C27H27N3O5S/c1-19-7-5-6-8-24(19)20-9-10-21(28-16-20)18-30(22-11-14-27(35-4)29-17-22)36(31,32)26-13-12-23(33-2)15-25(26)34-3/h5-17H,18H2,1-4H3
InChIKeyZXGJJZIRULRQCO-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.87
Rot. Bonds9

About 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide

2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide (PubChem CID 44581268) has the molecular formula C27H27N3O5S and a molecular weight of 505.60 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
PubChem CID44581268
Molecular FormulaC27H27N3O5S
Molecular Weight505.60 g/mol
Exact Mass505.17
IUPAC Name2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c(OC)c1
InChIInChI=1S/C27H27N3O5S/c1-19-7-5-6-8-24(19)20-9-10-21(28-16-20)18-30(22-11-14-27(35-4)29-17-22)36(31,32)26-13-12-23(33-2)15-25(26)34-3/h5-17H,18H2,1-4H3
InChIKeyZXGJJZIRULRQCO-UHFFFAOYSA-N
XLogP4.87
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide (CID 44581268) is 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is ZXGJJZIRULRQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5S/c1-19-7-5-6-8-24(19)20-9-10-21(28-16-20)18-30(22-11-14-27(35-4)29-17-22)36(31,32)26-13-12-23(33-2)15-25(26)34-3/h5-17H,18H2,1-4H3.
What are the key properties of 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 505.60 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 44581268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).