2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid

C11H13FN2O5S — CID 119350084

IUPAC2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O5S/c12-8-3-1-2-4-9(8)20(18,19)14-6-5-10(15)13-7-11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyPPWUGVPPRKYEDO-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.31
Rot. Bonds7

About 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid

2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid (PubChem CID 119350084) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
PubChem CID119350084
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O5S/c12-8-3-1-2-4-9(8)20(18,19)14-6-5-10(15)13-7-11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyPPWUGVPPRKYEDO-UHFFFAOYSA-N
XLogP-0.31
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119385406
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119499470
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 27550113
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723
3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224808
3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide
CID 25481946
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid?
The IUPAC name of 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid (CID 119350084) is 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid?
The canonical SMILES for 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid is O=C(O)CNC(=O)CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid?
The InChIKey is PPWUGVPPRKYEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c12-8-3-1-2-4-9(8)20(18,19)14-6-5-10(15)13-7-11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17).
What are the key properties of 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid?
2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid has a molecular weight of 304.30 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid is sourced from PubChem (CID 119350084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).