4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide

C22H17N5O2S — CID 127044252

IUPAC4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)
InChIKeyIZSJBHQHSUTYSV-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.73
Rot. Bonds4

About 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide

4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 127044252) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID127044252
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)
InChIKeyIZSJBHQHSUTYSV-UHFFFAOYSA-N
XLogP3.73
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide (CID 127044252) is 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is IZSJBHQHSUTYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 415.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 127044252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).