2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid

C5H10F2N2O4S — CID 114383884

IUPAC2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid
SMILESNCC(F)(F)CNS(=O)(=O)CC(=O)O
InChIInChI=1S/C5H10F2N2O4S/c6-5(7,2-8)3-9-14(12,13)1-4(10)11/h9H,1-3,8H2,(H,10,11)
InChIKeyCFDJBSIXIAFIMN-UHFFFAOYSA-N
MW232.21 g/mol
LogP-1.42
Rot. Bonds6

About 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid

2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid (PubChem CID 114383884) has the molecular formula C5H10F2N2O4S and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid
PubChem CID114383884
Molecular FormulaC5H10F2N2O4S
Molecular Weight232.21 g/mol
Exact Mass232.03
IUPAC Name2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid
SMILESNCC(F)(F)CNS(=O)(=O)CC(=O)O
InChIInChI=1S/C5H10F2N2O4S/c6-5(7,2-8)3-9-14(12,13)1-4(10)11/h9H,1-3,8H2,(H,10,11)
InChIKeyCFDJBSIXIAFIMN-UHFFFAOYSA-N
XLogP-1.42
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid (CID 114383884) is 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid is NCC(F)(F)CNS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid?
The InChIKey is CFDJBSIXIAFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O4S/c6-5(7,2-8)3-9-14(12,13)1-4(10)11/h9H,1-3,8H2,(H,10,11).
What are the key properties of 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid?
2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid has a molecular weight of 232.21 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetic acid is sourced from PubChem (CID 114383884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).