3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide

C17H23F3N2O4S — CID 55534166

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H23F3N2O4S/c1-22(2)27(24,25)15-10-11(8-9-14(15)26-3)16(23)21-13-7-5-4-6-12(13)17(18,19)20/h8-10,12-13H,4-7H2,1-3H3,(H,21,23)
InChIKeyGXLRTGMCCLJMCX-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.80
Rot. Bonds5

About 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 55534166) has the molecular formula C17H23F3N2O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID55534166
Molecular FormulaC17H23F3N2O4S
Molecular Weight408.44 g/mol
Exact Mass408.13
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H23F3N2O4S/c1-22(2)27(24,25)15-10-11(8-9-14(15)26-3)16(23)21-13-7-5-4-6-12(13)17(18,19)20/h8-10,12-13H,4-7H2,1-3H3,(H,21,23)
InChIKeyGXLRTGMCCLJMCX-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119610980
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 25497376
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 9327585
N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55582575
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973481
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512431
N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
CID 52793193
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166832
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide (CID 55534166) is 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide is COc1ccc(C(=O)NC2CCCCC2C(F)(F)F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is GXLRTGMCCLJMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O4S/c1-22(2)27(24,25)15-10-11(8-9-14(15)26-3)16(23)21-13-7-5-4-6-12(13)17(18,19)20/h8-10,12-13H,4-7H2,1-3H3,(H,21,23).
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 408.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 55534166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).