N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C17H14F6N2O3S — CID 52599921

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F6N2O3S/c1-25(10-16(18,19)20)15(26)11-5-7-14(8-6-11)29(27,28)24-13-4-2-3-12(9-13)17(21,22)23/h2-9,24H,10H2,1H3
InChIKeyCMQUZEZSMVLDQO-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.14
Rot. Bonds5

About N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 52599921) has the molecular formula C17H14F6N2O3S and a molecular weight of 440.37 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID52599921
Molecular FormulaC17H14F6N2O3S
Molecular Weight440.37 g/mol
Exact Mass440.06
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F6N2O3S/c1-25(10-16(18,19)20)15(26)11-5-7-14(8-6-11)29(27,28)24-13-4-2-3-12(9-13)17(21,22)23/h2-9,24H,10H2,1H3
InChIKeyCMQUZEZSMVLDQO-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 51573171
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
CID 9235026
4-[4-(dimethylamino)piperidine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 55644519
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 52599921) is N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is CMQUZEZSMVLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O3S/c1-25(10-16(18,19)20)15(26)11-5-7-14(8-6-11)29(27,28)24-13-4-2-3-12(9-13)17(21,22)23/h2-9,24H,10H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 440.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 52599921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).