2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid

C10H10F3NO4S — CID 28774104

IUPAC2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO4S/c11-10(12,13)8-3-1-2-7(4-8)5-14-19(17,18)6-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyHBOWQUYJLAEFLY-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.21
Rot. Bonds5

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

2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid (PubChem CID 28774104) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid
PubChem CID28774104
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO4S/c11-10(12,13)8-3-1-2-7(4-8)5-14-19(17,18)6-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyHBOWQUYJLAEFLY-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid (CID 28774104) is 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid?
The InChIKey is HBOWQUYJLAEFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c11-10(12,13)8-3-1-2-7(4-8)5-14-19(17,18)6-9(15)16/h1-4,14H,5-6H2,(H,15,16).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid?
2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid has a molecular weight of 297.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]acetic acid is sourced from PubChem (CID 28774104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).