2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid

C12H10FNO4S2 — CID 70870635

IUPAC2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H10FNO4S2/c13-9-3-1-8(2-4-9)10-5-6-12(19-10)20(17,18)14-7-11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyCYCUQIDMOGZKMF-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.92
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid

2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid (PubChem CID 70870635) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid
PubChem CID70870635
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC Name2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H10FNO4S2/c13-9-3-1-8(2-4-9)10-5-6-12(19-10)20(17,18)14-7-11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyCYCUQIDMOGZKMF-UHFFFAOYSA-N
XLogP1.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid (CID 70870635) is 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid?
The InChIKey is CYCUQIDMOGZKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c13-9-3-1-8(2-4-9)10-5-6-12(19-10)20(17,18)14-7-11(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid?
2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid has a molecular weight of 315.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]acetic acid is sourced from PubChem (CID 70870635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).