4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H27F3N4O3S — CID 55696935

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N4O3S/c1-24(15-7-3-2-4-8-15)30(28,29)26-13-11-25(12-14-26)18(27)23-17-10-6-5-9-16(17)19(20,21)22/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,23,27)
InChIKeyOSKJJCVMXCMVQP-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.36
Rot. Bonds4

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 55696935) has the molecular formula C19H27F3N4O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID55696935
Molecular FormulaC19H27F3N4O3S
Molecular Weight448.51 g/mol
Exact Mass448.18
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N4O3S/c1-24(15-7-3-2-4-8-15)30(28,29)26-13-11-25(12-14-26)18(27)23-17-10-6-5-9-16(17)19(20,21)22/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,23,27)
InChIKeyOSKJJCVMXCMVQP-UHFFFAOYSA-N
XLogP3.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 55699202
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide
CID 55698385
2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30287064
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 55696513
N-[2-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55599260
N-cyclohexyl-N-methyl-4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonamide
CID 34107789
4-(6-piperidin-1-ylpyridazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122334838
3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
CID 122019342
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 55696935) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is OSKJJCVMXCMVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O3S/c1-24(15-7-3-2-4-8-15)30(28,29)26-13-11-25(12-14-26)18(27)23-17-10-6-5-9-16(17)19(20,21)22/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,23,27).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55696935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).