2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid

C10H9F2NO4S — CID 30054012

IUPAC2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
SMILESC=CCNS(=O)(=O)c1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H9F2NO4S/c1-2-5-13-18(16,17)7-4-3-6(11)8(9(7)12)10(14)15/h2-4,13H,1,5H2,(H,14,15)
InChIKeyZEQHMMFSBRIAGV-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.13
Rot. Bonds5

About 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid

2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid (PubChem CID 30054012) has the molecular formula C10H9F2NO4S and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
PubChem CID30054012
Molecular FormulaC10H9F2NO4S
Molecular Weight277.25 g/mol
Exact Mass277.02
IUPAC Name2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
SMILESC=CCNS(=O)(=O)c1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H9F2NO4S/c1-2-5-13-18(16,17)7-4-3-6(11)8(9(7)12)10(14)15/h2-4,13H,1,5H2,(H,14,15)
InChIKeyZEQHMMFSBRIAGV-UHFFFAOYSA-N
XLogP1.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-3-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61404116
2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43363772
2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61285438
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
3-chlorosulfonyl-2,6-difluorobenzoic acid
CID 3304796
2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
CID 4609431
2,6-difluoro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid
CID 122198788
3-(2,2-difluoroethylsulfonyl)-2,6-difluorobenzoic acid
CID 54939186
2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004887
3-(2-chloroprop-2-enylsulfonyl)-2,6-difluorobenzoic acid
CID 43323727
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid (CID 30054012) is 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid is C=CCNS(=O)(=O)c1ccc(F)c(C(=O)O)c1F.
What is the InChIKey of 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid?
The InChIKey is ZEQHMMFSBRIAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO4S/c1-2-5-13-18(16,17)7-4-3-6(11)8(9(7)12)10(14)15/h2-4,13H,1,5H2,(H,14,15).
What are the key properties of 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid?
2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid has a molecular weight of 277.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid is sourced from PubChem (CID 30054012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).