N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide

C19H15N3O4S — CID 46228854

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccccc4)c3)c2[nH]1
InChIInChI=1S/C19H15N3O4S/c23-19-20-16-10-5-11-17(18(16)21-19)26-14-7-4-6-13(12-14)22-27(24,25)15-8-2-1-3-9-15/h1-12,22H,(H2,20,21,23)
InChIKeyNMEXSFUPMAPOEA-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.45
Rot. Bonds5

About N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide (PubChem CID 46228854) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
PubChem CID46228854
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccccc4)c3)c2[nH]1
InChIInChI=1S/C19H15N3O4S/c23-19-20-16-10-5-11-17(18(16)21-19)26-14-7-4-6-13(12-14)22-27(24,25)15-8-2-1-3-9-15/h1-12,22H,(H2,20,21,23)
InChIKeyNMEXSFUPMAPOEA-UHFFFAOYSA-N
XLogP3.45
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide (CID 46228854) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide is O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccccc4)c3)c2[nH]1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide?
The InChIKey is NMEXSFUPMAPOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-19-20-16-10-5-11-17(18(16)21-19)26-14-7-4-6-13(12-14)22-27(24,25)15-8-2-1-3-9-15/h1-12,22H,(H2,20,21,23).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide has a molecular weight of 381.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 46228854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).