4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide

C23H18N4O2S — CID 68643503

IUPAC4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc3ccncc3n2-c2ccc(C3=CC=CC3)cc2)cc1
InChIInChI=1S/C23H18N4O2S/c24-30(28,29)20-11-7-18(8-12-20)23-26-21-13-14-25-15-22(21)27(23)19-9-5-17(6-10-19)16-3-1-2-4-16/h1-3,5-15H,4H2,(H2,24,28,29)
InChIKeyASNXLGPNHXWXEU-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.08
Rot. Bonds4

About 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide

4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide (PubChem CID 68643503) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
PubChem CID68643503
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc3ccncc3n2-c2ccc(C3=CC=CC3)cc2)cc1
InChIInChI=1S/C23H18N4O2S/c24-30(28,29)20-11-7-18(8-12-20)23-26-21-13-14-25-15-22(21)27(23)19-9-5-17(6-10-19)16-3-1-2-4-16/h1-3,5-15H,4H2,(H2,24,28,29)
InChIKeyASNXLGPNHXWXEU-UHFFFAOYSA-N
XLogP4.08
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide (CID 68643503) is 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc3ccncc3n2-c2ccc(C3=CC=CC3)cc2)cc1.
What is the InChIKey of 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide?
The InChIKey is ASNXLGPNHXWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c24-30(28,29)20-11-7-18(8-12-20)23-26-21-13-14-25-15-22(21)27(23)19-9-5-17(6-10-19)16-3-1-2-4-16/h1-3,5-15H,4H2,(H2,24,28,29).
What are the key properties of 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide?
4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide has a molecular weight of 414.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide is sourced from PubChem (CID 68643503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).