3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide

C20H13ClF3N3O4S — CID 46228526

IUPAC3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cc(Cl)cc(C(F)(F)F)c4)c3)c2[nH]1
InChIInChI=1S/C20H13ClF3N3O4S/c21-12-7-11(20(22,23)24)8-15(9-12)32(29,30)27-13-3-1-4-14(10-13)31-17-6-2-5-16-18(17)26-19(28)25-16/h1-10,27H,(H2,25,26,28)
InChIKeyFLEMWQDSBIZWNV-UHFFFAOYSA-N
MW483.86 g/mol
LogP5.12
Rot. Bonds5

About 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide

3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 46228526) has the molecular formula C20H13ClF3N3O4S and a molecular weight of 483.86 g/mol. Its IUPAC name is 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID46228526
Molecular FormulaC20H13ClF3N3O4S
Molecular Weight483.86 g/mol
Exact Mass483.03
IUPAC Name3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cc(Cl)cc(C(F)(F)F)c4)c3)c2[nH]1
InChIInChI=1S/C20H13ClF3N3O4S/c21-12-7-11(20(22,23)24)8-15(9-12)32(29,30)27-13-3-1-4-14(10-13)31-17-6-2-5-16-18(17)26-19(28)25-16/h1-10,27H,(H2,25,26,28)
InChIKeyFLEMWQDSBIZWNV-UHFFFAOYSA-N
XLogP5.12
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.86
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 46228526) is 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide is O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cc(Cl)cc(C(F)(F)F)c4)c3)c2[nH]1.
What is the InChIKey of 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FLEMWQDSBIZWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O4S/c21-12-7-11(20(22,23)24)8-15(9-12)32(29,30)27-13-3-1-4-14(10-13)31-17-6-2-5-16-18(17)26-19(28)25-16/h1-10,27H,(H2,25,26,28).
What are the key properties of 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide?
3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 483.86 g/mol, XLogP of 5.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46228526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).