2-fluoro-N-prop-2-enylbenzenesulfonamide

C9H10FNO2S — CID 2398398

IUPAC2-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C9H10FNO2S/c1-2-7-11-14(12,13)9-6-4-3-5-8(9)10/h2-6,11H,1,7H2
InChIKeyYSKYXGWQIMWPMT-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.29
Rot. Bonds4

About 2-fluoro-N-prop-2-enylbenzenesulfonamide

2-fluoro-N-prop-2-enylbenzenesulfonamide (PubChem CID 2398398) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-fluoro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-prop-2-enylbenzenesulfonamide
PubChem CID2398398
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name2-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C9H10FNO2S/c1-2-7-11-14(12,13)9-6-4-3-5-8(9)10/h2-6,11H,1,7H2
InChIKeyYSKYXGWQIMWPMT-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.29
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 2-fluoro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-prop-2-enylbenzenesulfonamide (CID 2398398) is 2-fluoro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is YSKYXGWQIMWPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-2-7-11-14(12,13)9-6-4-3-5-8(9)10/h2-6,11H,1,7H2.
What are the key properties of 2-fluoro-N-prop-2-enylbenzenesulfonamide?
2-fluoro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 215.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 2398398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).