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

C17H13N3O3S — CID 651369

IUPACN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-24(22,13-5-2-1-3-6-13)20-12-8-9-14-15(11-12)19-17(18-14)16-7-4-10-23-16/h1-11,20H,(H,18,19)
InChIKeyRDYSMAMFZRKYAK-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.62
Rot. Bonds4

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

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 651369) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID651369
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-24(22,13-5-2-1-3-6-13)20-12-8-9-14-15(11-12)19-17(18-14)16-7-4-10-23-16/h1-11,20H,(H,18,19)
InChIKeyRDYSMAMFZRKYAK-UHFFFAOYSA-N
XLogP3.62
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 651369) is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is RDYSMAMFZRKYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-24(22,13-5-2-1-3-6-13)20-12-8-9-14-15(11-12)19-17(18-14)16-7-4-10-23-16/h1-11,20H,(H,18,19).
What are the key properties of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 651369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).