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

C21H16F3N3O4S — CID 46228524

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)Cc4cccc(C(F)(F)F)c4)c3)c2[nH]1
InChIInChI=1S/C21H16F3N3O4S/c22-21(23,24)14-5-1-4-13(10-14)12-32(29,30)27-15-6-2-7-16(11-15)31-18-9-3-8-17-19(18)26-20(28)25-17/h1-11,27H,12H2,(H2,25,26,28)
InChIKeyDCQNUCICWCUOAZ-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.61
Rot. Bonds6

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

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 46228524) has the molecular formula C21H16F3N3O4S and a molecular weight of 463.44 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID46228524
Molecular FormulaC21H16F3N3O4S
Molecular Weight463.44 g/mol
Exact Mass463.08
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)Cc4cccc(C(F)(F)F)c4)c3)c2[nH]1
InChIInChI=1S/C21H16F3N3O4S/c22-21(23,24)14-5-1-4-13(10-14)12-32(29,30)27-15-6-2-7-16(11-15)31-18-9-3-8-17-19(18)26-20(28)25-17/h1-11,27H,12H2,(H2,25,26,28)
InChIKeyDCQNUCICWCUOAZ-UHFFFAOYSA-N
XLogP4.61
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.61
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-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 46228524) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)Cc4cccc(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]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is DCQNUCICWCUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O4S/c22-21(23,24)14-5-1-4-13(10-14)12-32(29,30)27-15-6-2-7-16(11-15)31-18-9-3-8-17-19(18)26-20(28)25-17/h1-11,27H,12H2,(H2,25,26,28).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 463.44 g/mol, XLogP of 4.61, 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-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 46228524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).