N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C21H23F3N2O3S — CID 51573171

IUPACN-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCCCC1
InChIInChI=1S/C21H23F3N2O3S/c1-26(18-8-3-2-4-9-18)20(27)15-10-12-19(13-11-15)30(28,29)25-17-7-5-6-16(14-17)21(22,23)24/h5-7,10-14,18,25H,2-4,8-9H2,1H3
InChIKeySZJPKXQIOBGCOF-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.91
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 51573171) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID51573171
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC NameN-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCCCC1
InChIInChI=1S/C21H23F3N2O3S/c1-26(18-8-3-2-4-9-18)20(27)15-10-12-19(13-11-15)30(28,29)25-17-7-5-6-16(14-17)21(22,23)24/h5-7,10-14,18,25H,2-4,8-9H2,1H3
InChIKeySZJPKXQIOBGCOF-UHFFFAOYSA-N
XLogP4.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 52599921
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
4-[4-(dimethylamino)piperidine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 55644519
N-[(1S)-1-cyclopropylethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 9305504
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
4-(4-hydroxypiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 134014786
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
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
4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 41247466

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 51573171) is N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CN(C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is SZJPKXQIOBGCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-26(18-8-3-2-4-9-18)20(27)15-10-12-19(13-11-15)30(28,29)25-17-7-5-6-16(14-17)21(22,23)24/h5-7,10-14,18,25H,2-4,8-9H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 440.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 51573171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).