2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid

C11H12F3NO4S — CID 43714273

IUPAC2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid
SMILESCC(NS(=O)(=O)CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO4S/c1-7(15-20(18,19)6-10(16)17)8-3-2-4-9(5-8)11(12,13)14/h2-5,7,15H,6H2,1H3,(H,16,17)
InChIKeyGDCAMANVHUKZQB-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.77
Rot. Bonds5

About 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid

2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid (PubChem CID 43714273) has the molecular formula C11H12F3NO4S and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid
PubChem CID43714273
Molecular FormulaC11H12F3NO4S
Molecular Weight311.28 g/mol
Exact Mass311.04
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid
SMILESCC(NS(=O)(=O)CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO4S/c1-7(15-20(18,19)6-10(16)17)8-3-2-4-9(5-8)11(12,13)14/h2-5,7,15H,6H2,1H3,(H,16,17)
InChIKeyGDCAMANVHUKZQB-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid (CID 43714273) is 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid is CC(NS(=O)(=O)CC(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid?
The InChIKey is GDCAMANVHUKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4S/c1-7(15-20(18,19)6-10(16)17)8-3-2-4-9(5-8)11(12,13)14/h2-5,7,15H,6H2,1H3,(H,16,17).
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid?
2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid has a molecular weight of 311.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]ethylsulfamoyl]acetic acid is sourced from PubChem (CID 43714273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).