2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid

C11H13FN2O5S — CID 119350026

IUPAC2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
SMILESCC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(=O)O
InChIInChI=1S/C11H13FN2O5S/c1-7(11(17)13-6-10(15)16)14-20(18,19)9-5-3-2-4-8(9)12/h2-5,7,14H,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyHOPWOJNHKNTKHA-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.31
Rot. Bonds6

About 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid

2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid (PubChem CID 119350026) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
PubChem CID119350026
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
SMILESCC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(=O)O
InChIInChI=1S/C11H13FN2O5S/c1-7(11(17)13-6-10(15)16)14-20(18,19)9-5-3-2-4-8(9)12/h2-5,7,14H,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyHOPWOJNHKNTKHA-UHFFFAOYSA-N
XLogP-0.31
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 24543911
(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55959790
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836
2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 25484811
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24554553
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 32777538
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 27658928
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid?
The IUPAC name of 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid (CID 119350026) is 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid?
The canonical SMILES for 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid is CC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid?
The InChIKey is HOPWOJNHKNTKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c1-7(11(17)13-6-10(15)16)14-20(18,19)9-5-3-2-4-8(9)12/h2-5,7,14H,6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid?
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid has a molecular weight of 304.30 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid is sourced from PubChem (CID 119350026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).