2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide

C25H22N4O4S — CID 18753806

IUPAC2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2)NC3)cc1
InChIInChI=1S/C25H22N4O4S/c1-33-19-12-10-18(11-13-19)29-15-28-21-14-27-23(25(30)24(21)29)17-8-6-16(7-9-17)20-4-2-3-5-22(20)34(26,31)32/h2-13,15,23,27H,14H2,1H3,(H2,26,31,32)
InChIKeyOCFSKFMKJZRHOI-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.22
Rot. Bonds5

About 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide

2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide (PubChem CID 18753806) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
PubChem CID18753806
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2)NC3)cc1
InChIInChI=1S/C25H22N4O4S/c1-33-19-12-10-18(11-13-19)29-15-28-21-14-27-23(25(30)24(21)29)17-8-6-16(7-9-17)20-4-2-3-5-22(20)34(26,31)32/h2-13,15,23,27H,14H2,1H3,(H2,26,31,32)
InChIKeyOCFSKFMKJZRHOI-UHFFFAOYSA-N
XLogP3.22
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide (CID 18753806) is 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2)NC3)cc1.
What is the InChIKey of 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The InChIKey is OCFSKFMKJZRHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-33-19-12-10-18(11-13-19)29-15-28-21-14-27-23(25(30)24(21)29)17-8-6-16(7-9-17)20-4-2-3-5-22(20)34(26,31)32/h2-13,15,23,27H,14H2,1H3,(H2,26,31,32).
What are the key properties of 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide has a molecular weight of 474.54 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 18753806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).