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

C17H12F5N3O2S — CID 22998040

IUPAC4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C17H12F5N3O2S/c18-15(19)10-1-3-11(4-2-10)16-24-14(17(20,21)22)9-25(16)12-5-7-13(8-6-12)28(23,26)27/h1-9,15H,(H2,23,26,27)
InChIKeyUYCOFPXXZBELQY-UHFFFAOYSA-N
MW417.36 g/mol
LogP4.14
Rot. Bonds4

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

4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 22998040) has the molecular formula C17H12F5N3O2S and a molecular weight of 417.36 g/mol. Its IUPAC name is 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID22998040
Molecular FormulaC17H12F5N3O2S
Molecular Weight417.36 g/mol
Exact Mass417.06
IUPAC Name4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C17H12F5N3O2S/c18-15(19)10-1-3-11(4-2-10)16-24-14(17(20,21)22)9-25(16)12-5-7-13(8-6-12)28(23,26)27/h1-9,15H,(H2,23,26,27)
InChIKeyUYCOFPXXZBELQY-UHFFFAOYSA-N
XLogP4.14
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 22998040) is 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(C(F)F)cc2)cc1.
What is the InChIKey of 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is UYCOFPXXZBELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N3O2S/c18-15(19)10-1-3-11(4-2-10)16-24-14(17(20,21)22)9-25(16)12-5-7-13(8-6-12)28(23,26)27/h1-9,15H,(H2,23,26,27).
What are the key properties of 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 417.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22998040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).