2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide

C19H12Cl2FN3O2S — CID 50925152

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)cccc3Cl)[nH]c2c1
InChIInChI=1S/C19H12Cl2FN3O2S/c20-12-4-1-2-7-15(12)25-28(26,27)11-8-9-16-17(10-11)24-19(23-16)18-13(21)5-3-6-14(18)22/h1-10,25H,(H,23,24)
InChIKeyIUGMUFKHLUQCTL-UHFFFAOYSA-N
MW436.30 g/mol
LogP5.48
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide

2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 50925152) has the molecular formula C19H12Cl2FN3O2S and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID50925152
Molecular FormulaC19H12Cl2FN3O2S
Molecular Weight436.30 g/mol
Exact Mass435.00
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)cccc3Cl)[nH]c2c1
InChIInChI=1S/C19H12Cl2FN3O2S/c20-12-4-1-2-7-15(12)25-28(26,27)11-8-9-16-17(10-11)24-19(23-16)18-13(21)5-3-6-14(18)22/h1-10,25H,(H,23,24)
InChIKeyIUGMUFKHLUQCTL-UHFFFAOYSA-N
XLogP5.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide (CID 50925152) is 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is IUGMUFKHLUQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN3O2S/c20-12-4-1-2-7-15(12)25-28(26,27)11-8-9-16-17(10-11)24-19(23-16)18-13(21)5-3-6-14(18)22/h1-10,25H,(H,23,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide?
2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 436.30 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 50925152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).