4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide

C25H23N3O4S — CID 44581685

IUPAC4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC)nc2)cc1
InChIInChI=1S/C25H23N3O4S/c1-31-23-11-13-24(14-12-23)33(29,30)28(22-10-15-25(32-2)27-17-22)18-21-9-8-20(16-26-21)19-6-4-3-5-7-19/h3-17H,18H2,1-2H3
InChIKeyNGCKJOYCXUOKQN-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.56
Rot. Bonds8

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

4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 44581685) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID44581685
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC)nc2)cc1
InChIInChI=1S/C25H23N3O4S/c1-31-23-11-13-24(14-12-23)33(29,30)28(22-10-15-25(32-2)27-17-22)18-21-9-8-20(16-26-21)19-6-4-3-5-7-19/h3-17H,18H2,1-2H3
InChIKeyNGCKJOYCXUOKQN-UHFFFAOYSA-N
XLogP4.56
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide (CID 44581685) is 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC)nc2)cc1.
What is the InChIKey of 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is NGCKJOYCXUOKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-31-23-11-13-24(14-12-23)33(29,30)28(22-10-15-25(32-2)27-17-22)18-21-9-8-20(16-26-21)19-6-4-3-5-7-19/h3-17H,18H2,1-2H3.
What are the key properties of 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide?
4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 461.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 44581685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).