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

C23H21F3N2O3S — CID 2234602

IUPAC3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C23H21F3N2O3S/c1-16-2-9-20(10-3-16)28-32(30,31)21-13-4-17(5-14-21)6-15-22(29)27-19-11-7-18(8-12-19)23(24,25)26/h2-5,7-14,28H,6,15H2,1H3,(H,27,29)
InChIKeyXYIYZNNHVQVUGE-UHFFFAOYSA-N
MW462.49 g/mol
LogP5.39
Rot. Bonds7

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

3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 2234602) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID2234602
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC Name3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C23H21F3N2O3S/c1-16-2-9-20(10-3-16)28-32(30,31)21-13-4-17(5-14-21)6-15-22(29)27-19-11-7-18(8-12-19)23(24,25)26/h2-5,7-14,28H,6,15H2,1H3,(H,27,29)
InChIKeyXYIYZNNHVQVUGE-UHFFFAOYSA-N
XLogP5.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 2981886
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126367263
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 2234602) is 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XYIYZNNHVQVUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c1-16-2-9-20(10-3-16)28-32(30,31)21-13-4-17(5-14-21)6-15-22(29)27-19-11-7-18(8-12-19)23(24,25)26/h2-5,7-14,28H,6,15H2,1H3,(H,27,29).
What are the key properties of 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 462.49 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 2234602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).