2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide

C22H25F3N2O3S — CID 30768460

IUPAC2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCC(C(F)(F)F)CC3)c2)c1
InChIInChI=1S/C22H25F3N2O3S/c1-14-4-3-5-18(12-14)27-31(29,30)19-11-6-15(2)20(13-19)21(28)26-17-9-7-16(8-10-17)22(23,24)25/h3-6,11-13,16-17,27H,7-10H2,1-2H3,(H,26,28)
InChIKeyJZRIIDJBSNVSBF-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.96
Rot. Bonds5

About 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 30768460) has the molecular formula C22H25F3N2O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID30768460
Molecular FormulaC22H25F3N2O3S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCC(C(F)(F)F)CC3)c2)c1
InChIInChI=1S/C22H25F3N2O3S/c1-14-4-3-5-18(12-14)27-31(29,30)19-11-6-15(2)20(13-19)21(28)26-17-9-7-16(8-10-17)22(23,24)25/h3-6,11-13,16-17,27H,7-10H2,1-2H3,(H,26,28)
InChIKeyJZRIIDJBSNVSBF-UHFFFAOYSA-N
XLogP4.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43017867
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55722019
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 36821044
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119474946
2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 75376807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 30768460) is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCC(C(F)(F)F)CC3)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is JZRIIDJBSNVSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3S/c1-14-4-3-5-18(12-14)27-31(29,30)19-11-6-15(2)20(13-19)21(28)26-17-9-7-16(8-10-17)22(23,24)25/h3-6,11-13,16-17,27H,7-10H2,1-2H3,(H,26,28).
What are the key properties of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 454.51 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 30768460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).