2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid

C10H10BrFN2O5S — CID 103710320

IUPAC2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFN2O5S/c11-7-2-1-6(3-8(7)12)20(18,19)14-4-9(15)13-5-10(16)17/h1-3,14H,4-5H2,(H,13,15)(H,16,17)
InChIKeyZIARUXIICFQWCG-UHFFFAOYSA-N
MW369.17 g/mol
LogP0.07
Rot. Bonds6

About 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 103710320) has the molecular formula C10H10BrFN2O5S and a molecular weight of 369.17 g/mol. Its IUPAC name is 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID103710320
Molecular FormulaC10H10BrFN2O5S
Molecular Weight369.17 g/mol
Exact Mass367.95
IUPAC Name2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFN2O5S/c11-7-2-1-6(3-8(7)12)20(18,19)14-4-9(15)13-5-10(16)17/h1-3,14H,4-5H2,(H,13,15)(H,16,17)
InChIKeyZIARUXIICFQWCG-UHFFFAOYSA-N
XLogP0.07
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43398569
N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
CID 82839125
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 82840554
4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
CID 104936319
3-[(4-bromo-3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 104936328
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid (CID 103710320) is 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is ZIARUXIICFQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O5S/c11-7-2-1-6(3-8(7)12)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-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 369.17 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 103710320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).