2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid

C9H14F3NO4S — CID 43715479

IUPAC2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)13-18(16,17)5-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyVJNLQWGOOFQICW-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.11
Rot. Bonds4

About 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid

2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid (PubChem CID 43715479) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
PubChem CID43715479
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)13-18(16,17)5-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyVJNLQWGOOFQICW-UHFFFAOYSA-N
XLogP1.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid (CID 43715479) is 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid?
The InChIKey is VJNLQWGOOFQICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)13-18(16,17)5-8(14)15/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid?
2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid has a molecular weight of 289.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43715479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).