2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid

C10H12F3NO4S2 — CID 83068848

IUPAC2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)CCCC(F)(F)F)c1cccs1
InChIInChI=1S/C10H12F3NO4S2/c11-10(12,13)4-2-6-20(17,18)14-8(9(15)16)7-3-1-5-19-7/h1,3,5,8,14H,2,4,6H2,(H,15,16)
InChIKeyAXNCQPQETYIZIX-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.14
Rot. Bonds7

About 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid

2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid (PubChem CID 83068848) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid
PubChem CID83068848
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Name2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)CCCC(F)(F)F)c1cccs1
InChIInChI=1S/C10H12F3NO4S2/c11-10(12,13)4-2-6-20(17,18)14-8(9(15)16)7-3-1-5-19-7/h1,3,5,8,14H,2,4,6H2,(H,15,16)
InChIKeyAXNCQPQETYIZIX-UHFFFAOYSA-N
XLogP2.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid?
The IUPAC name of 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid (CID 83068848) is 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid.
What is the SMILES notation for 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid?
The canonical SMILES for 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid is O=C(O)C(NS(=O)(=O)CCCC(F)(F)F)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid?
The InChIKey is AXNCQPQETYIZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c11-10(12,13)4-2-6-20(17,18)14-8(9(15)16)7-3-1-5-19-7/h1,3,5,8,14H,2,4,6H2,(H,15,16).
What are the key properties of 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid?
2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid has a molecular weight of 331.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid is sourced from PubChem (CID 83068848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).