4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid

C8H12F3NO4S — CID 106209095

IUPAC4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO4S/c9-8(10,11)7(3-4-7)12-17(15,16)5-1-2-6(13)14/h12H,1-5H2,(H,13,14)
InChIKeyUTBKZDVWEXBQSJ-UHFFFAOYSA-N
MW275.25 g/mol
LogP0.87
Rot. Bonds6

About 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid

4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid (PubChem CID 106209095) has the molecular formula C8H12F3NO4S and a molecular weight of 275.25 g/mol. Its IUPAC name is 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid
PubChem CID106209095
Molecular FormulaC8H12F3NO4S
Molecular Weight275.25 g/mol
Exact Mass275.04
IUPAC Name4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO4S/c9-8(10,11)7(3-4-7)12-17(15,16)5-1-2-6(13)14/h12H,1-5H2,(H,13,14)
InChIKeyUTBKZDVWEXBQSJ-UHFFFAOYSA-N
XLogP0.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid (CID 106209095) is 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid?
The InChIKey is UTBKZDVWEXBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4S/c9-8(10,11)7(3-4-7)12-17(15,16)5-1-2-6(13)14/h12H,1-5H2,(H,13,14).
What are the key properties of 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid?
4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid has a molecular weight of 275.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 106209095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).