2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid

C11H13F2NO4S — CID 60950398

IUPAC2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid
SMILESCCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C11H13F2NO4S/c1-2-14(19(17,18)7-11(15)16)6-8-3-4-9(12)10(13)5-8/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyDKGBGMCUPPRFFI-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.20
Rot. Bonds6

About 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid

2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid (PubChem CID 60950398) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid
PubChem CID60950398
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid
SMILESCCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C11H13F2NO4S/c1-2-14(19(17,18)7-11(15)16)6-8-3-4-9(12)10(13)5-8/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyDKGBGMCUPPRFFI-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid (CID 60950398) is 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid is CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid?
The InChIKey is DKGBGMCUPPRFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-2-14(19(17,18)7-11(15)16)6-8-3-4-9(12)10(13)5-8/h3-5H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid?
2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic 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 2-[(3,4-difluorophenyl)methyl-ethylsulfamoyl]acetic acid is sourced from PubChem (CID 60950398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).