2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid

C10H10ClFN2O5S — CID 115610703

IUPAC2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFN2O5S/c11-7-2-1-6(12)3-8(7)20(18,19)14-4-9(15)13-5-10(16)17/h1-3,14H,4-5H2,(H,13,15)(H,16,17)
InChIKeyYMAQHEQMWTWZEJ-UHFFFAOYSA-N
MW324.72 g/mol
LogP-0.04
Rot. Bonds6

About 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 115610703) has the molecular formula C10H10ClFN2O5S and a molecular weight of 324.72 g/mol. Its IUPAC name is 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID115610703
Molecular FormulaC10H10ClFN2O5S
Molecular Weight324.72 g/mol
Exact Mass324.00
IUPAC Name2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFN2O5S/c11-7-2-1-6(12)3-8(7)20(18,19)14-4-9(15)13-5-10(16)17/h1-3,14H,4-5H2,(H,13,15)(H,16,17)
InChIKeyYMAQHEQMWTWZEJ-UHFFFAOYSA-N
XLogP-0.04
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400004
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
CID 105400574
2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43386864
2-[[2-[(2-chloro-4-cyanophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103988510
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxyethyl)acetamide
CID 126178977
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
(3R)-3-[(2-chloro-5-fluorophenyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 166259120
4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103710320

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid (CID 115610703) is 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is YMAQHEQMWTWZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O5S/c11-7-2-1-6(12)3-8(7)20(18,19)14-4-9(15)13-5-10(16)17/h1-3,14H,4-5H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 324.72 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 115610703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).