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

C20H14F3N3O4S — CID 46228525

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)c2[nH]1
InChIInChI=1S/C20H14F3N3O4S/c21-20(22,23)12-7-9-15(10-8-12)31(28,29)26-13-3-1-4-14(11-13)30-17-6-2-5-16-18(17)25-19(27)24-16/h1-11,26H,(H2,24,25,27)
InChIKeyFYKNIPICMCPTJD-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.47
Rot. Bonds5

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

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 46228525) 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]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID46228525
Molecular FormulaC20H14F3N3O4S
Molecular Weight449.41 g/mol
Exact Mass449.07
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)c2[nH]1
InChIInChI=1S/C20H14F3N3O4S/c21-20(22,23)12-7-9-15(10-8-12)31(28,29)26-13-3-1-4-14(11-13)30-17-6-2-5-16-18(17)25-19(27)24-16/h1-11,26H,(H2,24,25,27)
InChIKeyFYKNIPICMCPTJD-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 46228525) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)c2[nH]1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FYKNIPICMCPTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4S/c21-20(22,23)12-7-9-15(10-8-12)31(28,29)26-13-3-1-4-14(11-13)30-17-6-2-5-16-18(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]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(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]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46228525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).