4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid

C11H14FNO4S — CID 2535057

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-13(8-2-3-11(14)15)18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyHUXSPZKUXFYJSS-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.31
Rot. Bonds6

About 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid

4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid (PubChem CID 2535057) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid
PubChem CID2535057
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-13(8-2-3-11(14)15)18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyHUXSPZKUXFYJSS-UHFFFAOYSA-N
XLogP1.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid (CID 2535057) is 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid?
The InChIKey is HUXSPZKUXFYJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-13(8-2-3-11(14)15)18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid?
4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid is sourced from PubChem (CID 2535057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).