N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide

C17H12BrN3O3S — CID 665063

IUPACN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C17H12BrN3O3S/c18-16-9-8-15(24-16)17-19-13-7-6-11(10-14(13)20-17)21-25(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20)
InChIKeyQWMWFJCNXBNLIF-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.39
Rot. Bonds4

About N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide

N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 665063) has the molecular formula C17H12BrN3O3S and a molecular weight of 418.27 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID665063
Molecular FormulaC17H12BrN3O3S
Molecular Weight418.27 g/mol
Exact Mass416.98
IUPAC NameN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C17H12BrN3O3S/c18-16-9-8-15(24-16)17-19-13-7-6-11(10-14(13)20-17)21-25(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20)
InChIKeyQWMWFJCNXBNLIF-UHFFFAOYSA-N
XLogP4.39
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 665063) is N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is QWMWFJCNXBNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O3S/c18-16-9-8-15(24-16)17-19-13-7-6-11(10-14(13)20-17)21-25(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20).
What are the key properties of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 418.27 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 665063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).