2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid

C10H10F3NO4S2 — CID 106209131

IUPAC2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H10F3NO4S2/c11-10(12,13)9(3-4-9)14-20(17,18)8-2-1-6(19-8)5-7(15)16/h1-2,14H,3-5H2,(H,15,16)
InChIKeyYGRIWXLKCOLSLA-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.75
Rot. Bonds5

About 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 106209131) has the molecular formula C10H10F3NO4S2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID106209131
Molecular FormulaC10H10F3NO4S2
Molecular Weight329.32 g/mol
Exact Mass329.00
IUPAC Name2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H10F3NO4S2/c11-10(12,13)9(3-4-9)14-20(17,18)8-2-1-6(19-8)5-7(15)16/h1-2,14H,3-5H2,(H,15,16)
InChIKeyYGRIWXLKCOLSLA-UHFFFAOYSA-N
XLogP1.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid (CID 106209131) is 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is YGRIWXLKCOLSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S2/c11-10(12,13)9(3-4-9)14-20(17,18)8-2-1-6(19-8)5-7(15)16/h1-2,14H,3-5H2,(H,15,16).
What are the key properties of 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 329.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 106209131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).