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

C25H23N3O3S — CID 44581687

IUPACN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C25H23N3O3S/c1-19-8-6-7-11-24(19)20-12-13-21(26-16-20)18-28(22-14-15-25(31-2)27-17-22)32(29,30)23-9-4-3-5-10-23/h3-17H,18H2,1-2H3
InChIKeyBTVQVJDHDAUUJA-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.86
Rot. Bonds7

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

N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide (PubChem CID 44581687) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
PubChem CID44581687
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C25H23N3O3S/c1-19-8-6-7-11-24(19)20-12-13-21(26-16-20)18-28(22-14-15-25(31-2)27-17-22)32(29,30)23-9-4-3-5-10-23/h3-17H,18H2,1-2H3
InChIKeyBTVQVJDHDAUUJA-UHFFFAOYSA-N
XLogP4.86
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide (CID 44581687) is N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide is COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is BTVQVJDHDAUUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-19-8-6-7-11-24(19)20-12-13-21(26-16-20)18-28(22-14-15-25(31-2)27-17-22)32(29,30)23-9-4-3-5-10-23/h3-17H,18H2,1-2H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide?
N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 445.54 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 44581687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).