4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide

C16H12F3N3O2S — CID 18463648

IUPAC4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-21-13(10-4-2-1-3-5-10)14(22-15)11-6-8-12(9-7-11)25(20,23)24/h1-9H,(H,21,22)(H2,20,23,24)
InChIKeyAUZJDOFTEIPFBA-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.41
Rot. Bonds3

About 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide

4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide (PubChem CID 18463648) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
PubChem CID18463648
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-21-13(10-4-2-1-3-5-10)14(22-15)11-6-8-12(9-7-11)25(20,23)24/h1-9H,(H,21,22)(H2,20,23,24)
InChIKeyAUZJDOFTEIPFBA-UHFFFAOYSA-N
XLogP3.41
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide (CID 18463648) is 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide?
The InChIKey is AUZJDOFTEIPFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-21-13(10-4-2-1-3-5-10)14(22-15)11-6-8-12(9-7-11)25(20,23)24/h1-9H,(H,21,22)(H2,20,23,24).
What are the key properties of 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide?
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 18463648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).