2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C18H18ClF3N2O3S — CID 27052685

IUPAC2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-11(2)24-28(26,27)14-7-8-16(19)15(9-14)17(25)23-10-12-3-5-13(6-4-12)18(20,21)22/h3-9,11,24H,10H2,1-2H3,(H,23,25)
InChIKeyOJCOMTYYDODSES-UHFFFAOYSA-N
MW434.87 g/mol
LogP3.98
Rot. Bonds6

About 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 27052685) has the molecular formula C18H18ClF3N2O3S and a molecular weight of 434.87 g/mol. Its IUPAC name is 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID27052685
Molecular FormulaC18H18ClF3N2O3S
Molecular Weight434.87 g/mol
Exact Mass434.07
IUPAC Name2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-11(2)24-28(26,27)14-7-8-16(19)15(9-14)17(25)23-10-12-3-5-13(6-4-12)18(20,21)22/h3-9,11,24H,10H2,1-2H3,(H,23,25)
InChIKeyOJCOMTYYDODSES-UHFFFAOYSA-N
XLogP3.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 27052685) is 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is OJCOMTYYDODSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O3S/c1-11(2)24-28(26,27)14-7-8-16(19)15(9-14)17(25)23-10-12-3-5-13(6-4-12)18(20,21)22/h3-9,11,24H,10H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 434.87 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 27052685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).