3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide

C14H19FN2O2S — CID 63321878

IUPAC3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C14H19FN2O2S/c15-12-8-13(16)10-14(9-12)20(18,19)17-7-6-11-4-2-1-3-5-11/h4,8-10,17H,1-3,5-7,16H2
InChIKeyRKBXGFNJDFWZJK-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.58
Rot. Bonds5

About 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide

3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide (PubChem CID 63321878) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
PubChem CID63321878
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C14H19FN2O2S/c15-12-8-13(16)10-14(9-12)20(18,19)17-7-6-11-4-2-1-3-5-11/h4,8-10,17H,1-3,5-7,16H2
InChIKeyRKBXGFNJDFWZJK-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 61113473
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 61111770
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-fluoro-4-methoxybenzenesulfonamide
CID 106164718
3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 63322099
N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106150784
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide (CID 63321878) is 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide?
The InChIKey is RKBXGFNJDFWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-12-8-13(16)10-14(9-12)20(18,19)17-7-6-11-4-2-1-3-5-11/h4,8-10,17H,1-3,5-7,16H2.
What are the key properties of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide?
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide has a molecular weight of 298.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 63321878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).