4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide

C21H23N3O6S2 — CID 71671343

IUPAC4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1C
InChIInChI=1S/C21H23N3O6S2/c1-14-12-16(8-10-18(14)29-3)31(25,26)23-20-6-5-7-21(22-20)24-32(27,28)17-9-11-19(30-4)15(2)13-17/h5-13H,1-4H3,(H2,22,23,24)
InChIKeyXMXDSTYXYCFSIE-UHFFFAOYSA-N
MW477.56 g/mol
LogP3.32
Rot. Bonds8

About 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide

4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 71671343) has the molecular formula C21H23N3O6S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID71671343
Molecular FormulaC21H23N3O6S2
Molecular Weight477.56 g/mol
Exact Mass477.10
IUPAC Name4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1C
InChIInChI=1S/C21H23N3O6S2/c1-14-12-16(8-10-18(14)29-3)31(25,26)23-20-6-5-7-21(22-20)24-32(27,28)17-9-11-19(30-4)15(2)13-17/h5-13H,1-4H3,(H2,22,23,24)
InChIKeyXMXDSTYXYCFSIE-UHFFFAOYSA-N
XLogP3.32
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 116812631
2-methoxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzamide
CID 146024539
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 91968536
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 59191064
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide (CID 71671343) is 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1C.
What is the InChIKey of 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is XMXDSTYXYCFSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S2/c1-14-12-16(8-10-18(14)29-3)31(25,26)23-20-6-5-7-21(22-20)24-32(27,28)17-9-11-19(30-4)15(2)13-17/h5-13H,1-4H3,(H2,22,23,24).
What are the key properties of 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide?
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 477.56 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 71671343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).