N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide

C19H12ClF2N3O2S — CID 50925308

IUPACN-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C19H12ClF2N3O2S/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)
InChIKeyRXCNFHRMSJSAAE-UHFFFAOYSA-N
MW419.84 g/mol
LogP4.96
Rot. Bonds4

About N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 50925308) has the molecular formula C19H12ClF2N3O2S and a molecular weight of 419.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID50925308
Molecular FormulaC19H12ClF2N3O2S
Molecular Weight419.84 g/mol
Exact Mass419.03
IUPAC NameN-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C19H12ClF2N3O2S/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)
InChIKeyRXCNFHRMSJSAAE-UHFFFAOYSA-N
XLogP4.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide (CID 50925308) is N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)cccc3F)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is RXCNFHRMSJSAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O2S/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 N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 419.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 50925308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).