2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid

C11H14F3NO4S2 — CID 60951176

IUPAC2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H14F3NO4S2/c1-7(2)15(6-11(12,13)14)21(18,19)10-4-3-8(20-10)5-9(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyAGIPZLBKAFPXKN-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.34
Rot. Bonds6

About 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 60951176) has the molecular formula C11H14F3NO4S2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID60951176
Molecular FormulaC11H14F3NO4S2
Molecular Weight345.36 g/mol
Exact Mass345.03
IUPAC Name2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H14F3NO4S2/c1-7(2)15(6-11(12,13)14)21(18,19)10-4-3-8(20-10)5-9(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyAGIPZLBKAFPXKN-UHFFFAOYSA-N
XLogP2.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 60951176) is 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid is CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is AGIPZLBKAFPXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO4S2/c1-7(2)15(6-11(12,13)14)21(18,19)10-4-3-8(20-10)5-9(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 60951176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).