N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide

C16H24FNO3S — CID 32679933

IUPACN-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCCOC1CCCCC1
InChIInChI=1S/C16H24FNO3S/c17-15-9-7-14(8-10-15)13-22(19,20)18-11-4-12-21-16-5-2-1-3-6-16/h7-10,16,18H,1-6,11-13H2
InChIKeyLQYGBGPKZXZIDY-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.98
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide

N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 32679933) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID32679933
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC NameN-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCCOC1CCCCC1
InChIInChI=1S/C16H24FNO3S/c17-15-9-7-14(8-10-15)13-22(19,20)18-11-4-12-21-16-5-2-1-3-6-16/h7-10,16,18H,1-6,11-13H2
InChIKeyLQYGBGPKZXZIDY-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide (CID 32679933) is N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is LQYGBGPKZXZIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3S/c17-15-9-7-14(8-10-15)13-22(19,20)18-11-4-12-21-16-5-2-1-3-6-16/h7-10,16,18H,1-6,11-13H2.
What are the key properties of N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide?
N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 329.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 32679933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).