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

C20H14F3N3O4S — CID 46228819

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3)c2[nH]1
InChIInChI=1S/C20H14F3N3O4S/c21-20(22,23)12-4-1-7-15(10-12)31(28,29)26-13-5-2-6-14(11-13)30-17-9-3-8-16-18(17)25-19(27)24-16/h1-11,26H,(H2,24,25,27)
InChIKeyVYGTUYMZWMJCNT-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.47
Rot. Bonds5

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

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46228819) has the molecular formula C20H14F3N3O4S and a molecular weight of 449.41 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46228819
Molecular FormulaC20H14F3N3O4S
Molecular Weight449.41 g/mol
Exact Mass449.07
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3)c2[nH]1
InChIInChI=1S/C20H14F3N3O4S/c21-20(22,23)12-4-1-7-15(10-12)31(28,29)26-13-5-2-6-14(11-13)30-17-9-3-8-16-18(17)25-19(27)24-16/h1-11,26H,(H2,24,25,27)
InChIKeyVYGTUYMZWMJCNT-UHFFFAOYSA-N
XLogP4.47
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 46228457
CID 46228457
CID 46228511
CID 46228511
CID 46228525
CID 46228525
CID 46228526
CID 46228526
CID 46228527
CID 46228527
CID 46228620
CID 46228620
CID 46228821
CID 46228821
CID 46228825
CID 46228825
CID 46228854
CID 46228854
CID 46228855
CID 46228855
CID 50796792
CID 50796792
CID 50796873
CID 50796873

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 46228819) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc(C(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-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VYGTUYMZWMJCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4S/c21-20(22,23)12-4-1-7-15(10-12)31(28,29)26-13-5-2-6-14(11-13)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-(trifluoromethyl)benzenesulfonamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 449.41 g/mol, XLogP of 4.47, 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]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46228819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).