4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide

C12H15FN2O2S — CID 44601982

IUPAC4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide
SMILESC=CCNc1cc(F)ccc1S(=O)(=O)NCC=C
InChIInChI=1S/C12H15FN2O2S/c1-3-7-14-11-9-10(13)5-6-12(11)18(16,17)15-8-4-2/h3-6,9,14-15H,1-2,7-8H2
InChIKeyALGIMYJHFRTGDM-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.89
Rot. Bonds7

About 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide

4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide (PubChem CID 44601982) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide
PubChem CID44601982
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide
SMILESC=CCNc1cc(F)ccc1S(=O)(=O)NCC=C
InChIInChI=1S/C12H15FN2O2S/c1-3-7-14-11-9-10(13)5-6-12(11)18(16,17)15-8-4-2/h3-6,9,14-15H,1-2,7-8H2
InChIKeyALGIMYJHFRTGDM-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide (CID 44601982) is 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide is C=CCNc1cc(F)ccc1S(=O)(=O)NCC=C.
What is the InChIKey of 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide?
The InChIKey is ALGIMYJHFRTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-3-7-14-11-9-10(13)5-6-12(11)18(16,17)15-8-4-2/h3-6,9,14-15H,1-2,7-8H2.
What are the key properties of 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide?
4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide has a molecular weight of 270.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide is sourced from PubChem (CID 44601982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).