2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid

C10H10F3NO4S2 — CID 166266158

IUPAC2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)c1ccsc1C(F)(F)F
InChIInChI=1S/C10H10F3NO4S2/c1-2-4-14(6-8(15)16)20(17,18)7-3-5-19-9(7)10(11,12)13/h2-3,5H,1,4,6H2,(H,15,16)
InChIKeyALUNEZVMSGPNBX-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.03
Rot. Bonds6

About 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid

2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid (PubChem CID 166266158) has the molecular formula C10H10F3NO4S2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid
PubChem CID166266158
Molecular FormulaC10H10F3NO4S2
Molecular Weight329.32 g/mol
Exact Mass329.00
IUPAC Name2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)c1ccsc1C(F)(F)F
InChIInChI=1S/C10H10F3NO4S2/c1-2-4-14(6-8(15)16)20(17,18)7-3-5-19-9(7)10(11,12)13/h2-3,5H,1,4,6H2,(H,15,16)
InChIKeyALUNEZVMSGPNBX-UHFFFAOYSA-N
XLogP2.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid (CID 166266158) is 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid is C=CCN(CC(=O)O)S(=O)(=O)c1ccsc1C(F)(F)F.
What is the InChIKey of 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid?
The InChIKey is ALUNEZVMSGPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S2/c1-2-4-14(6-8(15)16)20(17,18)7-3-5-19-9(7)10(11,12)13/h2-3,5H,1,4,6H2,(H,15,16).
What are the key properties of 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid?
2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid has a molecular weight of 329.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid is sourced from PubChem (CID 166266158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).