4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide

C12H16FNO3S — CID 71695469

IUPAC4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C12H16FNO3S/c1-3-6-14(7-8-15)18(16,17)11-4-5-12(13)10(2)9-11/h3-5,9,15H,1,6-8H2,2H3
InChIKeyZAEPWVYLUDIBQY-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.30
Rot. Bonds6

About 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide

4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 71695469) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID71695469
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C12H16FNO3S/c1-3-6-14(7-8-15)18(16,17)11-4-5-12(13)10(2)9-11/h3-5,9,15H,1,6-8H2,2H3
InChIKeyZAEPWVYLUDIBQY-UHFFFAOYSA-N
XLogP1.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.30
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

dodecylbenzenesulfonic acid, triethanolamine salt
CID 33782
4-(4-Fluoro-3-methylphenyl)sulfonylmorpholine
CID 977826
N-(2-Hydroxyethyl)-N-(3-hydroxypropyl)-p-toluenesulphonamide
CID 81421
N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81565
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)
CID 10923804
Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)
CID 171134
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342
4-[3-(Trifluoromethyl)benzenesulfonyl]morpholine
CID 2140172
4-((4-Fluoro-2-methylphenyl)sulfonyl)morpholine
CID 2133629
2-(4-((4-Fluoro-3-methylphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16644904
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 71695468
3-fluoro-N-(2-methoxyethyl)-N,5-dimethylbenzenesulfonamide
CID 72109769

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide (CID 71695469) is 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(CCO)S(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is ZAEPWVYLUDIBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-3-6-14(7-8-15)18(16,17)11-4-5-12(13)10(2)9-11/h3-5,9,15H,1,6-8H2,2H3.
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide?
4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxyethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 71695469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).