N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide

C18H11ClF2N4O2S — CID 50923251

IUPACN-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncc(F)cc3F)[nH]c2c1
InChIInChI=1S/C18H11ClF2N4O2S/c19-12-3-1-2-4-14(12)25-28(26,27)11-5-6-15-16(8-11)24-18(23-15)17-13(21)7-10(20)9-22-17/h1-9,25H,(H,23,24)
InChIKeyUPOYLQNPAHLZPL-UHFFFAOYSA-N
MW420.83 g/mol
LogP4.36
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 50923251) has the molecular formula C18H11ClF2N4O2S and a molecular weight of 420.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
PubChem CID50923251
Molecular FormulaC18H11ClF2N4O2S
Molecular Weight420.83 g/mol
Exact Mass420.03
IUPAC NameN-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncc(F)cc3F)[nH]c2c1
InChIInChI=1S/C18H11ClF2N4O2S/c19-12-3-1-2-4-14(12)25-28(26,27)11-5-6-15-16(8-11)24-18(23-15)17-13(21)7-10(20)9-22-17/h1-9,25H,(H,23,24)
InChIKeyUPOYLQNPAHLZPL-UHFFFAOYSA-N
XLogP4.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.83
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide (CID 50923251) is N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncc(F)cc3F)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is UPOYLQNPAHLZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4O2S/c19-12-3-1-2-4-14(12)25-28(26,27)11-5-6-15-16(8-11)24-18(23-15)17-13(21)7-10(20)9-22-17/h1-9,25H,(H,23,24).
What are the key properties of N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 420.83 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 50923251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).