4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C19H13F3N4O2S — CID 22997978

IUPAC4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C19H13F3N4O2S/c20-19(21,22)17-11-26(14-5-7-15(8-6-14)29(23,27)28)18(25-17)13-9-12-3-1-2-4-16(12)24-10-13/h1-11H,(H2,23,27,28)
InChIKeyKSUQZLFZLDFBMA-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.75
Rot. Bonds3

About 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 22997978) has the molecular formula C19H13F3N4O2S and a molecular weight of 418.40 g/mol. Its IUPAC name is 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID22997978
Molecular FormulaC19H13F3N4O2S
Molecular Weight418.40 g/mol
Exact Mass418.07
IUPAC Name4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C19H13F3N4O2S/c20-19(21,22)17-11-26(14-5-7-15(8-6-14)29(23,27)28)18(25-17)13-9-12-3-1-2-4-16(12)24-10-13/h1-11H,(H2,23,27,28)
InChIKeyKSUQZLFZLDFBMA-UHFFFAOYSA-N
XLogP3.75
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 22997978) is 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is KSUQZLFZLDFBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S/c20-19(21,22)17-11-26(14-5-7-15(8-6-14)29(23,27)28)18(25-17)13-9-12-3-1-2-4-16(12)24-10-13/h1-11H,(H2,23,27,28).
What are the key properties of 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 418.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22997978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).