2-[(3-acetylphenyl)sulfonylamino]acetic acid

C10H11NO5S — CID 2512597

IUPAC2-[(3-acetylphenyl)sulfonylamino]acetic acid
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(=O)O)c1
InChIInChI=1S/C10H11NO5S/c1-7(12)8-3-2-4-9(5-8)17(15,16)11-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyHINKTCFJKCXJFA-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.25
Rot. Bonds5

About 2-[(3-acetylphenyl)sulfonylamino]acetic acid

2-[(3-acetylphenyl)sulfonylamino]acetic acid (PubChem CID 2512597) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-acetylphenyl)sulfonylamino]acetic acid
PubChem CID2512597
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Name2-[(3-acetylphenyl)sulfonylamino]acetic acid
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(=O)O)c1
InChIInChI=1S/C10H11NO5S/c1-7(12)8-3-2-4-9(5-8)17(15,16)11-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyHINKTCFJKCXJFA-UHFFFAOYSA-N
XLogP0.25
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(3-acetylphenyl)sulfonylamino]acetic acid (CID 2512597) is 2-[(3-acetylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(3-acetylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(3-acetylphenyl)sulfonylamino]acetic acid is CC(=O)c1cccc(S(=O)(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(3-acetylphenyl)sulfonylamino]acetic acid?
The InChIKey is HINKTCFJKCXJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-7(12)8-3-2-4-9(5-8)17(15,16)11-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(3-acetylphenyl)sulfonylamino]acetic acid?
2-[(3-acetylphenyl)sulfonylamino]acetic acid has a molecular weight of 257.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 2512597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).