2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

C28H21F3N2O3S2 — CID 43881579

IUPAC2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESO=C(CSC1c2ccccc2-c2ccccc21)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C28H21F3N2O3S2/c29-28(30,31)18-6-5-7-20(16-18)33-38(35,36)21-14-12-19(13-15-21)32-26(34)17-37-27-24-10-3-1-8-22(24)23-9-2-4-11-25(23)27/h1-16,27,33H,17H2,(H,32,34)
InChIKeyKCYPWQXUWAXKMF-UHFFFAOYSA-N
MW554.62 g/mol
LogP6.95
Rot. Bonds7

About 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 43881579) has the molecular formula C28H21F3N2O3S2 and a molecular weight of 554.62 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID43881579
Molecular FormulaC28H21F3N2O3S2
Molecular Weight554.62 g/mol
Exact Mass554.09
IUPAC Name2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESO=C(CSC1c2ccccc2-c2ccccc21)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C28H21F3N2O3S2/c29-28(30,31)18-6-5-7-20(16-18)33-38(35,36)21-14-12-19(13-15-21)32-26(34)17-37-27-24-10-3-1-8-22(24)23-9-2-4-11-25(23)27/h1-16,27,33H,17H2,(H,32,34)
InChIKeyKCYPWQXUWAXKMF-UHFFFAOYSA-N
XLogP6.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.62
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 28589500
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881585
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 4801122
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879912
2-(2,4-dichlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881529
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
CID 9235026
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43880179

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (CID 43881579) is 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is O=C(CSC1c2ccccc2-c2ccccc21)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is KCYPWQXUWAXKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N2O3S2/c29-28(30,31)18-6-5-7-20(16-18)33-38(35,36)21-14-12-19(13-15-21)32-26(34)17-37-27-24-10-3-1-8-22(24)23-9-2-4-11-25(23)27/h1-16,27,33H,17H2,(H,32,34).
What are the key properties of 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 554.62 g/mol, XLogP of 6.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).