1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole

C28H18ClFN4O2S — CID 155535934

IUPAC1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C28H18ClFN4O2S/c29-20-12-16-23(17-13-20)37(35,36)34-26-9-5-4-8-25(26)31-28(34)24-18-33(22-6-2-1-3-7-22)32-27(24)19-10-14-21(30)15-11-19/h1-18H
InChIKeySBHDYRBMRVYGLJ-UHFFFAOYSA-N
MW529.00 g/mol
LogP6.59
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole

1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole (PubChem CID 155535934) has the molecular formula C28H18ClFN4O2S and a molecular weight of 529.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole
PubChem CID155535934
Molecular FormulaC28H18ClFN4O2S
Molecular Weight529.00 g/mol
Exact Mass528.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C28H18ClFN4O2S/c29-20-12-16-23(17-13-20)37(35,36)34-26-9-5-4-8-25(26)31-28(34)24-18-33(22-6-2-1-3-7-22)32-27(24)19-10-14-21(30)15-11-19/h1-18H
InChIKeySBHDYRBMRVYGLJ-UHFFFAOYSA-N
XLogP6.59
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.00
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Imidazo[1,2-a]pyridine derivative, 2b
CID 25023754
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-(5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125256
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-[1-[8-(2-chlorophenyl)-9-(1-methylpyrazol-3-yl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 135156304
N-[1-[8-(2-chlorophenyl)-9-(1-methylpyrazol-4-yl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 135156309
3-{4-[(E)-2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethyl-benzenesulfonamide
CID 5917611
N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 53387410
4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 127044429
4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 127045339
1-(Benzenesulfonyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole
CID 155512497

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole (CID 155535934) is 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole is O=S(=O)(c1ccc(Cl)cc1)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The InChIKey is SBHDYRBMRVYGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClFN4O2S/c29-20-12-16-23(17-13-20)37(35,36)34-26-9-5-4-8-25(26)31-28(34)24-18-33(22-6-2-1-3-7-22)32-27(24)19-10-14-21(30)15-11-19/h1-18H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole?
1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole has a molecular weight of 529.00 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazole is sourced from PubChem (CID 155535934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).