2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide

C17H15F2N3O3S — CID 47826091

IUPAC2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3O3S/c18-10-3-6-16(12(19)8-10)26(23,24)22-11-4-5-13-14(9-11)21-17(20-13)15-2-1-7-25-15/h3-6,8-9,15,22H,1-2,7H2,(H,20,21)
InChIKeyFNKZYBXGRKZKCP-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.49
Rot. Bonds4

About 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide

2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 47826091) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID47826091
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3O3S/c18-10-3-6-16(12(19)8-10)26(23,24)22-11-4-5-13-14(9-11)21-17(20-13)15-2-1-7-25-15/h3-6,8-9,15,22H,1-2,7H2,(H,20,21)
InChIKeyFNKZYBXGRKZKCP-UHFFFAOYSA-N
XLogP3.49
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 47826091) is 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is FNKZYBXGRKZKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c18-10-3-6-16(12(19)8-10)26(23,24)22-11-4-5-13-14(9-11)21-17(20-13)15-2-1-7-25-15/h3-6,8-9,15,22H,1-2,7H2,(H,20,21).
What are the key properties of 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 379.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 47826091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).