N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide

C15H20FNO2S — CID 8721899

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F
InChIInChI=1S/C15H20FNO2S/c1-12-11-14(7-8-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h5,7-8,11,17H,2-4,6,9-10H2,1H3
InChIKeyKWQYSWBCOSJBLG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 8721899) has the molecular formula C15H20FNO2S and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID8721899
Molecular FormulaC15H20FNO2S
Molecular Weight297.40 g/mol
Exact Mass297.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F
InChIInChI=1S/C15H20FNO2S/c1-12-11-14(7-8-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h5,7-8,11,17H,2-4,6,9-10H2,1H3
InChIKeyKWQYSWBCOSJBLG-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
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-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide (CID 8721899) is N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is KWQYSWBCOSJBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-12-11-14(7-8-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h5,7-8,11,17H,2-4,6,9-10H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 8721899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).