N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C21H33F3N2O2S — CID 90912734

IUPACN-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCNCCCCCC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H33F3N2O2S/c1-2-25-15-5-3-4-6-17-7-9-18(10-8-17)16-26-29(27,28)20-13-11-19(12-14-20)21(22,23)24/h11-14,17-18,25-26H,2-10,15-16H2,1H3
InChIKeyHDEDUZYOPNLSIP-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.96
Rot. Bonds11

About N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90912734) has the molecular formula C21H33F3N2O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90912734
Molecular FormulaC21H33F3N2O2S
Molecular Weight434.57 g/mol
Exact Mass434.22
IUPAC NameN-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCNCCCCCC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H33F3N2O2S/c1-2-25-15-5-3-4-6-17-7-9-18(10-8-17)16-26-29(27,28)20-13-11-19(12-14-20)21(22,23)24/h11-14,17-18,25-26H,2-10,15-16H2,1H3
InChIKeyHDEDUZYOPNLSIP-UHFFFAOYSA-N
XLogP4.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[4-(dimethylamino)butoxy]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91476936
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-[[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91597614
N-[[4-[4-[2-methoxyethyl(methyl)amino]butoxy]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91546825
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 7451559
N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine
CID 158860052
N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 6733441
tert-butyl (3R)-3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 66559419
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
CID 12072017
N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 90912734) is N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide is CCNCCCCCC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HDEDUZYOPNLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F3N2O2S/c1-2-25-15-5-3-4-6-17-7-9-18(10-8-17)16-26-29(27,28)20-13-11-19(12-14-20)21(22,23)24/h11-14,17-18,25-26H,2-10,15-16H2,1H3.
What are the key properties of N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 434.57 g/mol, XLogP of 4.96, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90912734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).