4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide

C22H27F3N2O3S — CID 71464436

IUPAC4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H27F3N2O3S/c1-15(2)13-27(14-16(3)4)31(29,30)20-11-5-17(6-12-20)21(28)26-19-9-7-18(8-10-19)22(23,24)25/h5-12,15-16H,13-14H2,1-4H3,(H,26,28)
InChIKeySMEUWXUGITTZTN-UHFFFAOYSA-N
MW456.53 g/mol
LogP5.26
Rot. Bonds8

About 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide

4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 71464436) has the molecular formula C22H27F3N2O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID71464436
Molecular FormulaC22H27F3N2O3S
Molecular Weight456.53 g/mol
Exact Mass456.17
IUPAC Name4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H27F3N2O3S/c1-15(2)13-27(14-16(3)4)31(29,30)20-11-5-17(6-12-20)21(28)26-19-9-7-18(8-10-19)22(23,24)25/h5-12,15-16H,13-14H2,1-4H3,(H,26,28)
InChIKeySMEUWXUGITTZTN-UHFFFAOYSA-N
XLogP5.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 18590086
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147322
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
CID 17311636
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 17311380
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate
CID 17311755

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide (CID 71464436) is 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SMEUWXUGITTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O3S/c1-15(2)13-27(14-16(3)4)31(29,30)20-11-5-17(6-12-20)21(28)26-19-9-7-18(8-10-19)22(23,24)25/h5-12,15-16H,13-14H2,1-4H3,(H,26,28).
What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 456.53 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 71464436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).