3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid

C11H13F2NO4S — CID 60950172

IUPAC3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H13F2NO4S/c1-14(19(17,18)5-4-11(15)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyGBRNZDUCSVQCTO-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.20
Rot. Bonds6

About 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid

3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid (PubChem CID 60950172) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid
PubChem CID60950172
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H13F2NO4S/c1-14(19(17,18)5-4-11(15)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyGBRNZDUCSVQCTO-UHFFFAOYSA-N
XLogP1.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic 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

1-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylmethanesulfonamide
CID 83084049
3-[(5-cyano-2-fluorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 60951292
3-[(2,4-difluorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 55045952
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
3-[(4-chlorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 43173105
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 31818108
3-[(2-methoxy-5-methylphenyl)methyl-methylsulfamoyl]propanoic acid
CID 43362202
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
3-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 117042209
N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 31818139

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid (CID 60950172) is 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid is CN(Cc1ccc(F)cc1F)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid?
The InChIKey is GBRNZDUCSVQCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-14(19(17,18)5-4-11(15)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid?
3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid has a molecular weight of 293.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid is sourced from PubChem (CID 60950172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).