5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C22H18F3NO5S2 — CID 57430765

IUPAC5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2ccc(O)cc2C1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C22H18F3NO5S2/c23-22(24,25)20-9-8-19(32(28,29)18-4-2-1-3-5-18)13-21(20)33(30,31)26-16-10-14-6-7-17(27)12-15(14)11-16/h1-9,12-13,16,26-27H,10-11H2
InChIKeyAOIFAXNIJMSXLV-UHFFFAOYSA-N
MW497.52 g/mol
LogP3.69
Rot. Bonds5

About 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide

5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 57430765) has the molecular formula C22H18F3NO5S2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID57430765
Molecular FormulaC22H18F3NO5S2
Molecular Weight497.52 g/mol
Exact Mass497.06
IUPAC Name5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2ccc(O)cc2C1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C22H18F3NO5S2/c23-22(24,25)20-9-8-19(32(28,29)18-4-2-1-3-5-18)13-21(20)33(30,31)26-16-10-14-6-7-17(27)12-15(14)11-16/h1-9,12-13,16,26-27H,10-11H2
InChIKeyAOIFAXNIJMSXLV-UHFFFAOYSA-N
XLogP3.69
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 57430765) is 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1Cc2ccc(O)cc2C1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F.
What is the InChIKey of 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AOIFAXNIJMSXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO5S2/c23-22(24,25)20-9-8-19(32(28,29)18-4-2-1-3-5-18)13-21(20)33(30,31)26-16-10-14-6-7-17(27)12-15(14)11-16/h1-9,12-13,16,26-27H,10-11H2.
What are the key properties of 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 497.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 57430765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).