N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide

C16H16FNO2S — CID 86231536

IUPACN-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide
SMILESC=CCc1cc(F)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16FNO2S/c1-3-4-13-11-14(17)7-10-16(13)18-21(19,20)15-8-5-12(2)6-9-15/h3,5-11,18H,1,4H2,2H3
InChIKeyFGXNEINTVXUUNR-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.66
Rot. Bonds5

About N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide

N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide (PubChem CID 86231536) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide
PubChem CID86231536
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide
SMILESC=CCc1cc(F)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16FNO2S/c1-3-4-13-11-14(17)7-10-16(13)18-21(19,20)15-8-5-12(2)6-9-15/h3,5-11,18H,1,4H2,2H3
InChIKeyFGXNEINTVXUUNR-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.66
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-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide (CID 86231536) is N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide is C=CCc1cc(F)ccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is FGXNEINTVXUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-3-4-13-11-14(17)7-10-16(13)18-21(19,20)15-8-5-12(2)6-9-15/h3,5-11,18H,1,4H2,2H3.
What are the key properties of N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide?
N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-prop-2-enylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 86231536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).