2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid

C10H16F3NO4S — CID 61454921

IUPAC2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4S/c1-6(9(15)16)19(17,18)14-8-4-2-7(3-5-8)10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeySFHAXPQLVPBPQM-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.50
Rot. Bonds4

About 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid

2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid (PubChem CID 61454921) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
PubChem CID61454921
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4S/c1-6(9(15)16)19(17,18)14-8-4-2-7(3-5-8)10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeySFHAXPQLVPBPQM-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic 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-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid (CID 61454921) is 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The InChIKey is SFHAXPQLVPBPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-6(9(15)16)19(17,18)14-8-4-2-7(3-5-8)10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61454921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).