N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide

C16H20F3NO2S — CID 138550964

IUPACN-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide
SMILESO=S(=O)(N(CC=CC1CCCCC1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO2S/c17-16(18,19)23(21,22)20(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h2,5-7,10-12,14H,1,3-4,8-9,13H2
InChIKeyZSRHBXGAKWENAX-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.48
Rot. Bonds5

About N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide

N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide (PubChem CID 138550964) has the molecular formula C16H20F3NO2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide
PubChem CID138550964
Molecular FormulaC16H20F3NO2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC NameN-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide
SMILESO=S(=O)(N(CC=CC1CCCCC1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO2S/c17-16(18,19)23(21,22)20(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h2,5-7,10-12,14H,1,3-4,8-9,13H2
InChIKeyZSRHBXGAKWENAX-UHFFFAOYSA-N
XLogP4.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide?
The IUPAC name of N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide (CID 138550964) is N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide?
The canonical SMILES for N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide is O=S(=O)(N(CC=CC1CCCCC1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide?
The InChIKey is ZSRHBXGAKWENAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2S/c17-16(18,19)23(21,22)20(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h2,5-7,10-12,14H,1,3-4,8-9,13H2.
What are the key properties of N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide?
N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide is sourced from PubChem (CID 138550964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).