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

C15H20FNO3S — CID 8721900

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F
InChIInChI=1S/C15H20FNO3S/c1-20-15-11-13(7-8-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/h5,7-8,11,17H,2-4,6,9-10H2,1H3
InChIKeyYNGLZQCPZOYKGA-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.00
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 8721900) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID8721900
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F
InChIInChI=1S/C15H20FNO3S/c1-20-15-11-13(7-8-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/h5,7-8,11,17H,2-4,6,9-10H2,1H3
InChIKeyYNGLZQCPZOYKGA-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.00
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

3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553
N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37478389
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
CID 103844649
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate
CID 2211650
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-fluoro-4-methoxybenzenesulfonamide
CID 106164718
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
CID 106174188
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]-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide (CID 8721900) is N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is YNGLZQCPZOYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-20-15-11-13(7-8-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/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-methoxybenzenesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 313.39 g/mol, XLogP of 3.00, 6 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]-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 8721900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).