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

C26H25N3O5S2 — CID 44581720

IUPACN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C26H25N3O5S2/c1-19-7-4-5-10-25(19)20-11-12-21(27-16-20)18-29(22-13-14-26(34-2)28-17-22)36(32,33)24-9-6-8-23(15-24)35(3,30)31/h4-17H,18H2,1-3H3
InChIKeyVPHSQJGNZVZFJH-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.26
Rot. Bonds8

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

N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide (PubChem CID 44581720) has the molecular formula C26H25N3O5S2 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide
PubChem CID44581720
Molecular FormulaC26H25N3O5S2
Molecular Weight523.64 g/mol
Exact Mass523.12
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C26H25N3O5S2/c1-19-7-4-5-10-25(19)20-11-12-21(27-16-20)18-29(22-13-14-26(34-2)28-17-22)36(32,33)24-9-6-8-23(15-24)35(3,30)31/h4-17H,18H2,1-3H3
InChIKeyVPHSQJGNZVZFJH-UHFFFAOYSA-N
XLogP4.26
TPSA106.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridyl]pyridine
CID 72711194
N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 44581240
N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 44581241
4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
CID 44581242
N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-4-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 44581266
2,5-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
CID 44581267
2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
CID 44581268
N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide
CID 44581269
N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide
CID 44581647
4-methoxy-N-(6-methoxy-3-pyridinyl)-N-[(5-phenyl-2-pyridinyl)methyl]benzenesulfonamide
CID 44581685
N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 44581686
N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
CID 44581687

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide (CID 44581720) is N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide is COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide?
The InChIKey is VPHSQJGNZVZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S2/c1-19-7-4-5-10-25(19)20-11-12-21(27-16-20)18-29(22-13-14-26(34-2)28-17-22)36(32,33)24-9-6-8-23(15-24)35(3,30)31/h4-17H,18H2,1-3H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide?
N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide has a molecular weight of 523.64 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 44581720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).