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

C20H14F3N3O5S — CID 46228821

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c3)c2[nH]1
InChIInChI=1S/C20H14F3N3O5S/c21-20(22,23)31-14-6-2-7-15(11-14)32(28,29)26-12-4-1-5-13(10-12)30-17-9-3-8-16-18(17)25-19(27)24-16/h1-11,26H,(H2,24,25,27)
InChIKeyOLRYXRZPIMVSFN-UHFFFAOYSA-N
MW465.41 g/mol
LogP4.35
Rot. Bonds6

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

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 46228821) has the molecular formula C20H14F3N3O5S and a molecular weight of 465.41 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID46228821
Molecular FormulaC20H14F3N3O5S
Molecular Weight465.41 g/mol
Exact Mass465.06
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c3)c2[nH]1
InChIInChI=1S/C20H14F3N3O5S/c21-20(22,23)31-14-6-2-7-15(11-14)32(28,29)26-12-4-1-5-13(10-12)30-17-9-3-8-16-18(17)25-19(27)24-16/h1-11,26H,(H2,24,25,27)
InChIKeyOLRYXRZPIMVSFN-UHFFFAOYSA-N
XLogP4.35
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 50796602
CID 50796602
CID 7586546
CID 7586546
CID 46228511
CID 46228511
CID 46228525
CID 46228525
CID 46228526
CID 46228526
CID 46228527
CID 46228527
CID 46228819
CID 46228819
CID 46228854
CID 46228854
CID 46228855
CID 46228855
CID 50796790
CID 50796790
CID 127029369
CID 127029369
CID 9318901
CID 9318901

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 46228821) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide is O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c3)c2[nH]1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OLRYXRZPIMVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O5S/c21-20(22,23)31-14-6-2-7-15(11-14)32(28,29)26-12-4-1-5-13(10-12)30-17-9-3-8-16-18(17)25-19(27)24-16/h1-11,26H,(H2,24,25,27).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 465.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 46228821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).