N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide

C24H26F6N2O3S — CID 91438762

IUPACN-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26F6N2O3S/c1-16-7-9-18(10-8-16)15-32(14-17-5-3-2-4-6-17)36(34,35)31-22(33)19-11-20(23(25,26)27)13-21(12-19)24(28,29)30/h2-6,11-13,16,18H,7-10,14-15H2,1H3,(H,31,33)
InChIKeyDFFZJPIUQVSKBT-UHFFFAOYSA-N
MW536.54 g/mol
LogP6.03
Rot. Bonds7

About N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide

N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 91438762) has the molecular formula C24H26F6N2O3S and a molecular weight of 536.54 g/mol. Its IUPAC name is N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID91438762
Molecular FormulaC24H26F6N2O3S
Molecular Weight536.54 g/mol
Exact Mass536.16
IUPAC NameN-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26F6N2O3S/c1-16-7-9-18(10-8-16)15-32(14-17-5-3-2-4-6-17)36(34,35)31-22(33)19-11-20(23(25,26)27)13-21(12-19)24(28,29)30/h2-6,11-13,16,18H,7-10,14-15H2,1H3,(H,31,33)
InChIKeyDFFZJPIUQVSKBT-UHFFFAOYSA-N
XLogP6.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[benzyl-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]amino]methyl]cyclohexyl]methyl methanesulfonate
CID 22574476
[6-[[benzyl-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]amino]methyl]spiro[2.5]octan-2-yl] N-(2-phenylethyl)carbamate
CID 163724391
methyl N-[4-[[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl-ethylamino]methyl]cyclohexyl]-N-phenylcarbamate
CID 91458506
methyl N-benzyl-N-[4-[[[benzyl-[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]amino]methyl]cyclohexyl]carbamate
CID 90919545
2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 68814771
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N-[4-[[benzyl-(3,5-dimethylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 23582066
N-[4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexyl]-N-methyl-2-phenylacetamide
CID 23582317
N-[[4-[(2-hydroxyphenyl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 44539487
N-benzyl-1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693650
N-[(4-piperidin-1-ylphenyl)methylsulfamoyl]-3,5-bis(trifluoromethyl)benzamide
CID 87626805
(4-benzyl-6-methylcyclononyl)-[3-(2,3-dimethylbutan-2-yl)-5-(trifluoromethyl)phenyl]methanone
CID 142912219

Frequently Asked Questions

What is the IUPAC name of N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide (CID 91438762) is N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide is CC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is DFFZJPIUQVSKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6N2O3S/c1-16-7-9-18(10-8-16)15-32(14-17-5-3-2-4-6-17)36(34,35)31-22(33)19-11-20(23(25,26)27)13-21(12-19)24(28,29)30/h2-6,11-13,16,18H,7-10,14-15H2,1H3,(H,31,33).
What are the key properties of N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide?
N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 536.54 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 91438762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).