2-[(4-bromophenyl)sulfonylamino]acetic acid

C8H8BrNO4S — CID 737467

IUPAC2-[(4-bromophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyNDAHRASKKXWZMD-UHFFFAOYSA-N
MW294.13 g/mol
LogP0.81
Rot. Bonds4

About 2-[(4-bromophenyl)sulfonylamino]acetic acid

2-[(4-bromophenyl)sulfonylamino]acetic acid (PubChem CID 737467) has the molecular formula C8H8BrNO4S and a molecular weight of 294.13 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]acetic acid
PubChem CID737467
Molecular FormulaC8H8BrNO4S
Molecular Weight294.13 g/mol
Exact Mass292.94
IUPAC Name2-[(4-bromophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyNDAHRASKKXWZMD-UHFFFAOYSA-N
XLogP0.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]acetic acid (CID 737467) is 2-[(4-bromophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]acetic acid?
The InChIKey is NDAHRASKKXWZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]acetic acid?
2-[(4-bromophenyl)sulfonylamino]acetic acid has a molecular weight of 294.13 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 737467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).