2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid

C12H13F2NO4S — CID 43167202

IUPAC2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1cc(F)ccc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H13F2NO4S/c1-12(11(16)17,7-2-3-7)15-20(18,19)10-6-8(13)4-5-9(10)14/h4-7,15H,2-3H2,1H3,(H,16,17)
InChIKeyZGKFTERSQGBWDZ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.50
Rot. Bonds5

About 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid

2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid (PubChem CID 43167202) has the molecular formula C12H13F2NO4S and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid
PubChem CID43167202
Molecular FormulaC12H13F2NO4S
Molecular Weight305.30 g/mol
Exact Mass305.05
IUPAC Name2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1cc(F)ccc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H13F2NO4S/c1-12(11(16)17,7-2-3-7)15-20(18,19)10-6-8(13)4-5-9(10)14/h4-7,15H,2-3H2,1H3,(H,16,17)
InChIKeyZGKFTERSQGBWDZ-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid (CID 43167202) is 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1cc(F)ccc1F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is ZGKFTERSQGBWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4S/c1-12(11(16)17,7-2-3-7)15-20(18,19)10-6-8(13)4-5-9(10)14/h4-7,15H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid?
2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid has a molecular weight of 305.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,5-difluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43167202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).