4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide

C19H21F3N2O3S — CID 9474816

IUPAC4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
SMILESCC(C)Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)24-16-7-9-17(10-8-16)28(26,27)23-12-19(20,21)22/h3-10,13,23H,11-12H2,1-2H3,(H,24,25)
InChIKeySDRXGOONVYKTAR-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.98
Rot. Bonds7

About 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide

4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide (PubChem CID 9474816) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
PubChem CID9474816
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
SMILESCC(C)Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)24-16-7-9-17(10-8-16)28(26,27)23-12-19(20,21)22/h3-10,13,23H,11-12H2,1-2H3,(H,24,25)
InChIKeySDRXGOONVYKTAR-UHFFFAOYSA-N
XLogP3.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9474741
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 26425964
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
tert-butyl N-[3-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]carbamate
CID 46612905
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 71464436
N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 170125944
6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide
CID 56581337

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide (CID 9474816) is 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide is CC(C)Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The InChIKey is SDRXGOONVYKTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)24-16-7-9-17(10-8-16)28(26,27)23-12-19(20,21)22/h3-10,13,23H,11-12H2,1-2H3,(H,24,25).
What are the key properties of 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide has a molecular weight of 414.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9474816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).