5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one

C14H8ClF3N2O4S — CID 46232783

IUPAC5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8ClF3N2O4S/c15-8-4-5-11-12(6-8)20(13(21)19-11)25(22,23)10-3-1-2-9(7-10)24-14(16,17)18/h1-7H,(H,19,21)
InChIKeyVNSSLTNDTXIGPM-UHFFFAOYSA-N
MW392.74 g/mol
LogP3.12
Rot. Bonds3

About 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one

5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one (PubChem CID 46232783) has the molecular formula C14H8ClF3N2O4S and a molecular weight of 392.74 g/mol. Its IUPAC name is 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one
PubChem CID46232783
Molecular FormulaC14H8ClF3N2O4S
Molecular Weight392.74 g/mol
Exact Mass391.98
IUPAC Name5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8ClF3N2O4S/c15-8-4-5-11-12(6-8)20(13(21)19-11)25(22,23)10-3-1-2-9(7-10)24-14(16,17)18/h1-7H,(H,19,21)
InChIKeyVNSSLTNDTXIGPM-UHFFFAOYSA-N
XLogP3.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one (CID 46232783) is 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one?
The InChIKey is VNSSLTNDTXIGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O4S/c15-8-4-5-11-12(6-8)20(13(21)19-11)25(22,23)10-3-1-2-9(7-10)24-14(16,17)18/h1-7H,(H,19,21).
What are the key properties of 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one?
5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one has a molecular weight of 392.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one is sourced from PubChem (CID 46232783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).