N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide

C11H8BrN3O3S — CID 75458418

IUPACN-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2[nH]cnc12)c1ccc(Br)o1
InChIInChI=1S/C11H8BrN3O3S/c12-9-4-5-10(18-9)19(16,17)15-8-3-1-2-7-11(8)14-6-13-7/h1-6,15H,(H,13,14)
InChIKeyZGICCYSNNBQBJP-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.72
Rot. Bonds3

About N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide

N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide (PubChem CID 75458418) has the molecular formula C11H8BrN3O3S and a molecular weight of 342.17 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide
PubChem CID75458418
Molecular FormulaC11H8BrN3O3S
Molecular Weight342.17 g/mol
Exact Mass340.95
IUPAC NameN-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2[nH]cnc12)c1ccc(Br)o1
InChIInChI=1S/C11H8BrN3O3S/c12-9-4-5-10(18-9)19(16,17)15-8-3-1-2-7-11(8)14-6-13-7/h1-6,15H,(H,13,14)
InChIKeyZGICCYSNNBQBJP-UHFFFAOYSA-N
XLogP2.72
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide (CID 75458418) is N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide is O=S(=O)(Nc1cccc2[nH]cnc12)c1ccc(Br)o1.
What is the InChIKey of N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide?
The InChIKey is ZGICCYSNNBQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3S/c12-9-4-5-10(18-9)19(16,17)15-8-3-1-2-7-11(8)14-6-13-7/h1-6,15H,(H,13,14).
What are the key properties of N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide?
N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide has a molecular weight of 342.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)-5-bromofuran-2-sulfonamide is sourced from PubChem (CID 75458418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).