2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid

C11H13ClFNO4S — CID 104739176

IUPAC2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C11H13ClFNO4S/c1-2-3-9(11(15)16)14-19(17,18)10-6-7(13)4-5-8(10)12/h4-6,9,14H,2-3H2,1H3,(H,15,16)
InChIKeyUULYKUMZXHZZOA-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.01
Rot. Bonds6

About 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid

2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid (PubChem CID 104739176) has the molecular formula C11H13ClFNO4S and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
PubChem CID104739176
Molecular FormulaC11H13ClFNO4S
Molecular Weight309.75 g/mol
Exact Mass309.02
IUPAC Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C11H13ClFNO4S/c1-2-3-9(11(15)16)14-19(17,18)10-6-7(13)4-5-8(10)12/h4-6,9,14H,2-3H2,1H3,(H,15,16)
InChIKeyUULYKUMZXHZZOA-UHFFFAOYSA-N
XLogP2.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448
2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
CID 122101407
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
(3R)-3-[(2-chloro-5-fluorophenyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 166259120
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid (CID 104739176) is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is UULYKUMZXHZZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S/c1-2-3-9(11(15)16)14-19(17,18)10-6-7(13)4-5-8(10)12/h4-6,9,14H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid?
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 309.75 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 104739176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).