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

C18H15N3O3S — CID 1088933

IUPACN-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3[nH]2)o1
InChIInChI=1S/C18H15N3O3S/c1-12-7-10-17(24-12)18-19-15-9-8-13(11-16(15)20-18)21-25(22,23)14-5-3-2-4-6-14/h2-11,21H,1H3,(H,19,20)
InChIKeyYTSCLRTXBGENAR-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.93
Rot. Bonds4

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

N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 1088933) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID1088933
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3[nH]2)o1
InChIInChI=1S/C18H15N3O3S/c1-12-7-10-17(24-12)18-19-15-9-8-13(11-16(15)20-18)21-25(22,23)14-5-3-2-4-6-14/h2-11,21H,1H3,(H,19,20)
InChIKeyYTSCLRTXBGENAR-UHFFFAOYSA-N
XLogP3.93
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 1088933) is N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3[nH]2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is YTSCLRTXBGENAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12-7-10-17(24-12)18-19-15-9-8-13(11-16(15)20-18)21-25(22,23)14-5-3-2-4-6-14/h2-11,21H,1H3,(H,19,20).
What are the key properties of N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 1088933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).