4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C14H10F3N3O2S2 — CID 10619336

IUPAC4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccs2)cc1
InChIInChI=1S/C14H10F3N3O2S2/c15-14(16,17)12-8-20(13(19-12)11-2-1-7-23-11)9-3-5-10(6-4-9)24(18,21)22/h1-8H,(H2,18,21,22)
InChIKeyUPDJNAHRAKJPOA-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.27
Rot. Bonds3

About 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10619336) has the molecular formula C14H10F3N3O2S2 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10619336
Molecular FormulaC14H10F3N3O2S2
Molecular Weight373.38 g/mol
Exact Mass373.02
IUPAC Name4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccs2)cc1
InChIInChI=1S/C14H10F3N3O2S2/c15-14(16,17)12-8-20(13(19-12)11-2-1-7-23-11)9-3-5-10(6-4-9)24(18,21)22/h1-8H,(H2,18,21,22)
InChIKeyUPDJNAHRAKJPOA-UHFFFAOYSA-N
XLogP3.27
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 10619336) is 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccs2)cc1.
What is the InChIKey of 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is UPDJNAHRAKJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S2/c15-14(16,17)12-8-20(13(19-12)11-2-1-7-23-11)9-3-5-10(6-4-9)24(18,21)22/h1-8H,(H2,18,21,22).
What are the key properties of 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 373.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10619336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).