2-[(2,4-dibromophenyl)sulfonylamino]acetic acid

C8H7Br2NO4S — CID 60823111

IUPAC2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C8H7Br2NO4S/c9-5-1-2-7(6(10)3-5)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyHWCBGJLTOZRLHS-UHFFFAOYSA-N
MW373.02 g/mol
LogP1.57
Rot. Bonds4

About 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid

2-[(2,4-dibromophenyl)sulfonylamino]acetic acid (PubChem CID 60823111) has the molecular formula C8H7Br2NO4S and a molecular weight of 373.02 g/mol. Its IUPAC name is 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
PubChem CID60823111
Molecular FormulaC8H7Br2NO4S
Molecular Weight373.02 g/mol
Exact Mass370.85
IUPAC Name2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C8H7Br2NO4S/c9-5-1-2-7(6(10)3-5)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyHWCBGJLTOZRLHS-UHFFFAOYSA-N
XLogP1.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.02
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
CID 43240842
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
2-[(4-amino-2-bromophenyl)sulfonylamino]acetamide
CID 43255728
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834064
2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005687
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
3-bromo-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 28540514
2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126545
2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid
CID 14457724
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
CID 43404988
2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 47319560
2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180968

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid (CID 60823111) is 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid?
The InChIKey is HWCBGJLTOZRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO4S/c9-5-1-2-7(6(10)3-5)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid?
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid has a molecular weight of 373.02 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 60823111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).