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

C20H17N3O4S — CID 46228552

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)Cc4ccccc4)c3)c2[nH]1
InChIInChI=1S/C20H17N3O4S/c24-20-21-17-10-5-11-18(19(17)22-20)27-16-9-4-8-15(12-16)23-28(25,26)13-14-6-2-1-3-7-14/h1-12,23H,13H2,(H2,21,22,24)
InChIKeyVDWCCGNROSAJMO-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.59
Rot. Bonds6

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

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide (PubChem CID 46228552) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide
PubChem CID46228552
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)Cc4ccccc4)c3)c2[nH]1
InChIInChI=1S/C20H17N3O4S/c24-20-21-17-10-5-11-18(19(17)22-20)27-16-9-4-8-15(12-16)23-28(25,26)13-14-6-2-1-3-7-14/h1-12,23H,13H2,(H2,21,22,24)
InChIKeyVDWCCGNROSAJMO-UHFFFAOYSA-N
XLogP3.59
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide (CID 46228552) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide is O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)Cc4ccccc4)c3)c2[nH]1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is VDWCCGNROSAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c24-20-21-17-10-5-11-18(19(17)22-20)27-16-9-4-8-15(12-16)23-28(25,26)13-14-6-2-1-3-7-14/h1-12,23H,13H2,(H2,21,22,24).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 395.44 g/mol, XLogP of 3.59, 6 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 46228552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).