N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide

C16H22FNO3S — CID 110299915

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)NCCC1=CCCCC1
InChIInChI=1S/C16H22FNO3S/c17-15-6-8-16(9-7-15)21-12-13-22(19,20)18-11-10-14-4-2-1-3-5-14/h4,6-9,18H,1-3,5,10-13H2
InChIKeyNCTSQEOGVLGDPP-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 110299915) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID110299915
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)NCCC1=CCCCC1
InChIInChI=1S/C16H22FNO3S/c17-15-6-8-16(9-7-15)21-12-13-22(19,20)18-11-10-14-4-2-1-3-5-14/h4,6-9,18H,1-3,5,10-13H2
InChIKeyNCTSQEOGVLGDPP-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
CID 110306666
1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
CID 60697689
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 17432888
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 126415843
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92681312
2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110617588
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109183647
N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
CID 110305340
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide (CID 110299915) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide is O=S(=O)(CCOc1ccc(F)cc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is NCTSQEOGVLGDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3S/c17-15-6-8-16(9-7-15)21-12-13-22(19,20)18-11-10-14-4-2-1-3-5-14/h4,6-9,18H,1-3,5,10-13H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 327.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 110299915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).