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

C22H16FN5O2S — CID 127044429

IUPAC4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
InChIKeyDRGYSZXRUDJHLX-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.87
Rot. Bonds4

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

4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 127044429) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID127044429
Molecular FormulaC22H16FN5O2S
Molecular Weight433.47 g/mol
Exact Mass433.10
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
InChIKeyDRGYSZXRUDJHLX-UHFFFAOYSA-N
XLogP3.87
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Odm-203
CID 71554322
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
N,N-dimethyl-4-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
CID 118720611
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
CID 127044252
4-[4-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 127044444
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 127045770
2-(6-(2-fluorophenyl)pyridin-3-yl)-6-(methylsulfonyl)-1H-benzo[d]imidazole
CID 44465737
N-[2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide
CID 54767419
10-(1H-benzimidazol-2-yl)-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 56679401
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 57343972
US9156811, Ddd73332
CID 57400517

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 127044429) is 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is DRGYSZXRUDJHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 433.47 g/mol, XLogP of 3.87, 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-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 127044429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).