2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid

C10H12FNO4S — CID 1259362

IUPAC2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c1-2-12(7-10(13)14)17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyLQIYAPZQOAHCHQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.92
Rot. Bonds5

About 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid

2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid (PubChem CID 1259362) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid
PubChem CID1259362
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c1-2-12(7-10(13)14)17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyLQIYAPZQOAHCHQ-UHFFFAOYSA-N
XLogP0.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid (CID 1259362) is 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid is CCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid?
The InChIKey is LQIYAPZQOAHCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-2-12(7-10(13)14)17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid?
2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid has a molecular weight of 261.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-fluorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 1259362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).