N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide

C16H23F3N2O3S — CID 59230454

IUPACN-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H23F3N2O3S/c1-2-25(22,23)21-14-5-3-12(4-6-14)11-20-13-7-9-15(10-8-13)24-16(17,18)19/h7-10,12,14,20-21H,2-6,11H2,1H3
InChIKeyAOXUPUBZKIDUFQ-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.50
Rot. Bonds7

About N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide

N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide (PubChem CID 59230454) has the molecular formula C16H23F3N2O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide
PubChem CID59230454
Molecular FormulaC16H23F3N2O3S
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC NameN-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H23F3N2O3S/c1-2-25(22,23)21-14-5-3-12(4-6-14)11-20-13-7-9-15(10-8-13)24-16(17,18)19/h7-10,12,14,20-21H,2-6,11H2,1H3
InChIKeyAOXUPUBZKIDUFQ-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide (CID 59230454) is N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(CNc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide?
The InChIKey is AOXUPUBZKIDUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3S/c1-2-25(22,23)21-14-5-3-12(4-6-14)11-20-13-7-9-15(10-8-13)24-16(17,18)19/h7-10,12,14,20-21H,2-6,11H2,1H3.
What are the key properties of N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide?
N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 59230454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).