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

C11H18F3NO4S — CID 43715767

IUPAC4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c12-11(13,14)8-4-1-2-5-9(8)15-20(18,19)7-3-6-10(16)17/h8-9,15H,1-7H2,(H,16,17)
InChIKeyHDNFGVNTKBXISP-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.89
Rot. Bonds6

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

4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid (PubChem CID 43715767) has the molecular formula C11H18F3NO4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
PubChem CID43715767
Molecular FormulaC11H18F3NO4S
Molecular Weight317.33 g/mol
Exact Mass317.09
IUPAC Name4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c12-11(13,14)8-4-1-2-5-9(8)15-20(18,19)7-3-6-10(16)17/h8-9,15H,1-7H2,(H,16,17)
InChIKeyHDNFGVNTKBXISP-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid (CID 43715767) is 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid?
The InChIKey is HDNFGVNTKBXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4S/c12-11(13,14)8-4-1-2-5-9(8)15-20(18,19)7-3-6-10(16)17/h8-9,15H,1-7H2,(H,16,17).
What are the key properties of 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid?
4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid has a molecular weight of 317.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43715767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).