4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide

C15H11F3N2O4S — CID 178048051

IUPAC4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(O)C(=O)Nc3cccc(C(F)(F)F)c32)cc1
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)10-2-1-3-11-12(10)14(22,13(21)20-11)8-4-6-9(7-5-8)25(19,23)24/h1-7,22H,(H,20,21)(H2,19,23,24)
InChIKeyGTLIWWUDJYQJCW-UHFFFAOYSA-N
MW372.32 g/mol
LogP1.54
Rot. Bonds2

About 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide

4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide (PubChem CID 178048051) has the molecular formula C15H11F3N2O4S and a molecular weight of 372.32 g/mol. Its IUPAC name is 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide
PubChem CID178048051
Molecular FormulaC15H11F3N2O4S
Molecular Weight372.32 g/mol
Exact Mass372.04
IUPAC Name4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(O)C(=O)Nc3cccc(C(F)(F)F)c32)cc1
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)10-2-1-3-11-12(10)14(22,13(21)20-11)8-4-6-9(7-5-8)25(19,23)24/h1-7,22H,(H,20,21)(H2,19,23,24)
InChIKeyGTLIWWUDJYQJCW-UHFFFAOYSA-N
XLogP1.54
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
CID 102141068
4-aminobenzenesulfonamide;1-bromo-2-(trifluoromethyl)benzene
CID 174933416
(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one
CID 2380072
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
CID 169099340
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
8-(trifluoromethyl)spiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096863
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448648
4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide
CID 102141067
3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one
CID 178047804
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-(trifluoromethyl)spiro[1H-indole-3,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene]-2-one
CID 14616685

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide (CID 178048051) is 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2(O)C(=O)Nc3cccc(C(F)(F)F)c32)cc1.
What is the InChIKey of 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide?
The InChIKey is GTLIWWUDJYQJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4S/c16-15(17,18)10-2-1-3-11-12(10)14(22,13(21)20-11)8-4-6-9(7-5-8)25(19,23)24/h1-7,22H,(H,20,21)(H2,19,23,24).
What are the key properties of 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide?
4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide has a molecular weight of 372.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-2-oxo-4-(trifluoromethyl)-1H-indol-3-yl]benzenesulfonamide is sourced from PubChem (CID 178048051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).