2-[(4-fluorophenyl)sulfonylamino]pentanoate

C11H13FNO4S- — CID 4282675

IUPAC2-[(4-fluorophenyl)sulfonylamino]pentanoate
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)/p-1
InChIKeyWIJBWJWHBZDCAI-UHFFFAOYSA-M
MW274.29 g/mol
LogP0.02
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]pentanoate

2-[(4-fluorophenyl)sulfonylamino]pentanoate (PubChem CID 4282675) has the molecular formula C11H13FNO4S- and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]pentanoate.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]pentanoate
PubChem CID4282675
Molecular FormulaC11H13FNO4S-
Molecular Weight274.29 g/mol
Exact Mass274.06
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]pentanoate
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)/p-1
InChIKeyWIJBWJWHBZDCAI-UHFFFAOYSA-M
XLogP0.02
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate
CID 9403798
(2R,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-methylpentanoate
CID 6935683
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
sodium (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 139844001
2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
CID 110497943
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]pentanoate?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]pentanoate (CID 4282675) is 2-[(4-fluorophenyl)sulfonylamino]pentanoate.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]pentanoate?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]pentanoate is CCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-].
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]pentanoate?
The InChIKey is WIJBWJWHBZDCAI-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]pentanoate?
2-[(4-fluorophenyl)sulfonylamino]pentanoate has a molecular weight of 274.29 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]pentanoate is sourced from PubChem (CID 4282675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).