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

C10H16F3NO4S — CID 43715768

IUPAC3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)7-3-1-2-4-8(7)14-19(17,18)6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyZUCDVAXRDBPDOY-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.50
Rot. Bonds5

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

3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid (PubChem CID 43715768) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
PubChem CID43715768
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)7-3-1-2-4-8(7)14-19(17,18)6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyZUCDVAXRDBPDOY-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid (CID 43715768) is 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The InChIKey is ZUCDVAXRDBPDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c11-10(12,13)7-3-1-2-4-8(7)14-19(17,18)6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43715768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).