2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide

C9H11FN2O2S — CID 61111572

IUPAC2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H11FN2O2S/c1-2-5-12-15(13,14)9-4-3-7(10)6-8(9)11/h2-4,6,12H,1,5,11H2
InChIKeyJDHMJSMAANKTMQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide

2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide (PubChem CID 61111572) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
PubChem CID61111572
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H11FN2O2S/c1-2-5-12-15(13,14)9-4-3-7(10)6-8(9)11/h2-4,6,12H,1,5,11H2
InChIKeyJDHMJSMAANKTMQ-UHFFFAOYSA-N
XLogP0.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.87
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

2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
CID 61128180
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 61127561
2-amino-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 106308765

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide (CID 61111572) is 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is JDHMJSMAANKTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c1-2-5-12-15(13,14)9-4-3-7(10)6-8(9)11/h2-4,6,12H,1,5,11H2.
What are the key properties of 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide?
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 230.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61111572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).