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

C19H15F3N4O2S — CID 22998090

IUPAC4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCn1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C19H15F3N4O2S/c1-25-10-15(14-4-2-3-5-16(14)25)18-24-17(19(20,21)22)11-26(18)12-6-8-13(9-7-12)29(23,27)28/h2-11H,1H3,(H2,23,27,28)
InChIKeyPLZVXIYLVSITHC-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.70
Rot. Bonds3

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

4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 22998090) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID22998090
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCn1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C19H15F3N4O2S/c1-25-10-15(14-4-2-3-5-16(14)25)18-24-17(19(20,21)22)11-26(18)12-6-8-13(9-7-12)29(23,27)28/h2-11H,1H3,(H2,23,27,28)
InChIKeyPLZVXIYLVSITHC-UHFFFAOYSA-N
XLogP3.70
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CID 137534047
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937066
N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CID 155342988
7-Methyl-2-[3-(pyrrolidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 941841
4-(2-Pyridin-3-yl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 9799387
4-[2-(5-Methyl-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9842937
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
1-Ethyl-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-1H-indole
CID 10087312
1-(4-Methanesulfonyl-phenyl)-2-m-tolyl-4-trifluoromethyl-1H-imidazole
CID 10110298
4-(2-p-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10134425
4-(2-m-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10134426
4-(2-Phenyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10155819

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 22998090) is 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is Cn1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c2ccccc21.
What is the InChIKey of 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is PLZVXIYLVSITHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c1-25-10-15(14-4-2-3-5-16(14)25)18-24-17(19(20,21)22)11-26(18)12-6-8-13(9-7-12)29(23,27)28/h2-11H,1H3,(H2,23,27,28).
What are the key properties of 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 420.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylindol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22998090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).