5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide

C9H10F2N2O2S — CID 61112133

IUPAC5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C9H10F2N2O2S/c1-2-3-13-16(14,15)9-5-8(12)6(10)4-7(9)11/h2,4-5,13H,1,3,12H2
InChIKeyHSPBSTLZONNSNV-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.01
Rot. Bonds4

About 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide

5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide (PubChem CID 61112133) has the molecular formula C9H10F2N2O2S and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
PubChem CID61112133
Molecular FormulaC9H10F2N2O2S
Molecular Weight248.25 g/mol
Exact Mass248.04
IUPAC Name5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C9H10F2N2O2S/c1-2-3-13-16(14,15)9-5-8(12)6(10)4-7(9)11/h2,4-5,13H,1,3,12H2
InChIKeyHSPBSTLZONNSNV-UHFFFAOYSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.01
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

5-amino-N-(2-but-3-enoxyethyl)-2,4-difluorobenzenesulfonamide
CID 106392799
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 61111572
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 66177364
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106289392
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
CID 30054012
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
CID 106284143

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide (CID 61112133) is 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is HSPBSTLZONNSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2S/c1-2-3-13-16(14,15)9-5-8(12)6(10)4-7(9)11/h2,4-5,13H,1,3,12H2.
What are the key properties of 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide?
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 248.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61112133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).