4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide

C19H17N3O3S2 — CID 67359604

IUPAC4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2c(-c3cccs3)nc3cccc(O)c32)cc1
InChIInChI=1S/C19H17N3O3S2/c20-27(24,25)14-8-6-13(7-9-14)10-11-22-18-15(3-1-4-16(18)23)21-19(22)17-5-2-12-26-17/h1-9,12,23H,10-11H2,(H2,20,24,25)
InChIKeyKVWVVSKQSXINAQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.36
Rot. Bonds5

About 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide

4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 67359604) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
PubChem CID67359604
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2c(-c3cccs3)nc3cccc(O)c32)cc1
InChIInChI=1S/C19H17N3O3S2/c20-27(24,25)14-8-6-13(7-9-14)10-11-22-18-15(3-1-4-16(18)23)21-19(22)17-5-2-12-26-17/h1-9,12,23H,10-11H2,(H2,20,24,25)
InChIKeyKVWVVSKQSXINAQ-UHFFFAOYSA-N
XLogP3.36
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide (CID 67359604) is 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCn2c(-c3cccs3)nc3cccc(O)c32)cc1.
What is the InChIKey of 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is KVWVVSKQSXINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c20-27(24,25)14-8-6-13(7-9-14)10-11-22-18-15(3-1-4-16(18)23)21-19(22)17-5-2-12-26-17/h1-9,12,23H,10-11H2,(H2,20,24,25).
What are the key properties of 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 399.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 67359604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).