2-[(4-fluorophenyl)sulfonylamino]pentanoic acid

C11H14FNO4S — CID 3745894

IUPAC2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H14FNO4S/c1-2-3-10(11(14)15)13-18(16,17)9-6-4-8(12)5-7-9/h4-7,10,13H,2-3H2,1H3,(H,14,15)
InChIKeyWIJBWJWHBZDCAI-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.36
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid

2-[(4-fluorophenyl)sulfonylamino]pentanoic acid (PubChem CID 3745894) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
PubChem CID3745894
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H14FNO4S/c1-2-3-10(11(14)15)13-18(16,17)9-6-4-8(12)5-7-9/h4-7,10,13H,2-3H2,1H3,(H,14,15)
InChIKeyWIJBWJWHBZDCAI-UHFFFAOYSA-N
XLogP1.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid
CID 107564868
2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethylsulfonylamino]pentanoic acid
CID 122070155

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid (CID 3745894) is 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is WIJBWJWHBZDCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-2-3-10(11(14)15)13-18(16,17)9-6-4-8(12)5-7-9/h4-7,10,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid?
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 3745894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).