4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C18H19F3N2O4S — CID 24575991

IUPAC4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-12(2)23-28(25,26)16-9-5-14(6-10-16)17(24)22-11-13-3-7-15(8-4-13)27-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24)
InChIKeyWFQGOVNXROMXMD-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.20
Rot. Bonds7

About 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 24575991) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID24575991
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-12(2)23-28(25,26)16-9-5-14(6-10-16)17(24)22-11-13-3-7-15(8-4-13)27-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24)
InChIKeyWFQGOVNXROMXMD-UHFFFAOYSA-N
XLogP3.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588840
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
CID 51925783
(4-ethylphenyl) 4-(propan-2-ylsulfamoyl)benzoate
CID 16592113
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 24623168
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46475812
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 24575991) is 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is WFQGOVNXROMXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-12(2)23-28(25,26)16-9-5-14(6-10-16)17(24)22-11-13-3-7-15(8-4-13)27-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24).
What are the key properties of 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 416.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24575991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).