3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide

C22H19F3N2O3S — CID 1304359

IUPAC3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H19F3N2O3S/c23-22(24,25)17-7-4-8-19(15-17)27-31(29,30)20-12-10-18(11-13-20)26-21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,27H,9,14H2,(H,26,28)
InChIKeyOXVJQRNYTTUPII-UHFFFAOYSA-N
MW448.47 g/mol
LogP5.08
Rot. Bonds7

About 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide

3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide (PubChem CID 1304359) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
PubChem CID1304359
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC Name3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H19F3N2O3S/c23-22(24,25)17-7-4-8-19(15-17)27-31(29,30)20-12-10-18(11-13-20)26-21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,27H,9,14H2,(H,26,28)
InChIKeyOXVJQRNYTTUPII-UHFFFAOYSA-N
XLogP5.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
CID 9235026
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 28589500
2-(9H-fluoren-9-ylsulfanyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881579
N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879912
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43880179
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881585

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide (CID 1304359) is 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The InChIKey is OXVJQRNYTTUPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S/c23-22(24,25)17-7-4-8-19(15-17)27-31(29,30)20-12-10-18(11-13-20)26-21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,27H,9,14H2,(H,26,28).
What are the key properties of 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide has a molecular weight of 448.47 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 1304359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).