N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C21H16ClF3N2O3S — CID 2110703

IUPACN-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H16ClF3N2O3S/c22-17-5-1-3-14(11-17)13-26-20(28)15-7-9-19(10-8-15)31(29,30)27-18-6-2-4-16(12-18)21(23,24)25/h1-12,27H,13H2,(H,26,28)
InChIKeyCHDRZVZLFWSUCM-UHFFFAOYSA-N
MW468.88 g/mol
LogP5.09
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 2110703) has the molecular formula C21H16ClF3N2O3S and a molecular weight of 468.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID2110703
Molecular FormulaC21H16ClF3N2O3S
Molecular Weight468.88 g/mol
Exact Mass468.05
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H16ClF3N2O3S/c22-17-5-1-3-14(11-17)13-26-20(28)15-7-9-19(10-8-15)31(29,30)27-18-6-2-4-16(12-18)21(23,24)25/h1-12,27H,13H2,(H,26,28)
InChIKeyCHDRZVZLFWSUCM-UHFFFAOYSA-N
XLogP5.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.88
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 2110703) is N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is CHDRZVZLFWSUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3S/c22-17-5-1-3-14(11-17)13-26-20(28)15-7-9-19(10-8-15)31(29,30)27-18-6-2-4-16(12-18)21(23,24)25/h1-12,27H,13H2,(H,26,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 468.88 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 2110703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).