N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide

C20H18N6O3S — CID 135501803

About N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide

N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide (PubChem CID 135501803) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide
• PubChem CID: 135501803
• Molecular Formula: C20H18N6O3S
• Molecular Weight: 422.47 g/mol
• Exact Mass: 422.12
• IUPAC Name: N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide
• SMILES: CC1(C)C(=O)Nc2cc3nc(-c4[nH]ncc4NS(=O)(=O)c4ccccc4)[nH]c3cc21
• InChI: InChI=1S/C20H18N6O3S/c1-20(2)12-8-14-15(9-13(12)24-19(20)27)23-18(22-14)17-16(10-21-25-17)26-30(28,29)11-6-4-3-5-7-11/h3-10,26H,1-2H3,(H,21,25)(H,22,23)(H,24,27)
• InChIKey: BNWRVDHPFDXWCJ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 132.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.47
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide?

The IUPAC name of N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide (CID 135501803) is N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide.

What is the SMILES notation for N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide?

The canonical SMILES for N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide is CC1(C)C(=O)Nc2cc3nc(-c4[nH]ncc4NS(=O)(=O)c4ccccc4)[nH]c3cc21.

What is the InChIKey of N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide?

The InChIKey is BNWRVDHPFDXWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-20(2)12-8-14-15(9-13(12)24-19(20)27)23-18(22-14)17-16(10-21-25-17)26-30(28,29)11-6-4-3-5-7-11/h3-10,26H,1-2H3,(H,21,25)(H,22,23)(H,24,27).

What are the key properties of N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide?

N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide has a molecular weight of 422.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 135501803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).