N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

C24H39F3N2O3S — CID 22567637

IUPACN-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(C)CCCCCCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H39F3N2O3S/c1-19(2)28(3)17-7-5-6-8-18-32-22-13-11-21(12-14-22)29(4)33(30,31)23-15-9-20(10-16-23)24(25,26)27/h9-10,15-16,19,21-22H,5-8,11-14,17-18H2,1-4H3
InChIKeyNZDJNGUVKNMZJG-UHFFFAOYSA-N
MW492.65 g/mol
LogP5.55
Rot. Bonds12

About N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 22567637) has the molecular formula C24H39F3N2O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID22567637
Molecular FormulaC24H39F3N2O3S
Molecular Weight492.65 g/mol
Exact Mass492.26
IUPAC NameN-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(C)CCCCCCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H39F3N2O3S/c1-19(2)28(3)17-7-5-6-8-18-32-22-13-11-21(12-14-22)29(4)33(30,31)23-15-9-20(10-16-23)24(25,26)27/h9-10,15-16,19,21-22H,5-8,11-14,17-18H2,1-4H3
InChIKeyNZDJNGUVKNMZJG-UHFFFAOYSA-N
XLogP5.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 91905233
CID 91905233
CID 49720663
CID 49720663
CID 71686952
CID 71686952
CID 122243249
CID 122243249
CID 11225387
CID 11225387
CID 11317890
CID 11317890
CID 11531916
CID 11531916
CID 11538772
CID 11538772
CID 11648864
CID 11648864
CID 11652958
CID 11652958
CID 20760565
CID 20760565
CID 20760568
CID 20760568

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (CID 22567637) is N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is CC(C)N(C)CCCCCCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NZDJNGUVKNMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39F3N2O3S/c1-19(2)28(3)17-7-5-6-8-18-32-22-13-11-21(12-14-22)29(4)33(30,31)23-15-9-20(10-16-23)24(25,26)27/h9-10,15-16,19,21-22H,5-8,11-14,17-18H2,1-4H3.
What are the key properties of N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 492.65 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]hexoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22567637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).