2-[(4-sulfamoylbenzoyl)amino]acetic acid

C9H10N2O5S — CID 10467688

IUPAC2-[(4-sulfamoylbenzoyl)amino]acetic acid
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
InChIKeyUEFOOXBQBNWTDR-UHFFFAOYSA-N
MW258.25 g/mol
LogP-0.85
Rot. Bonds4

About 2-[(4-sulfamoylbenzoyl)amino]acetic acid

2-[(4-sulfamoylbenzoyl)amino]acetic acid (PubChem CID 10467688) has the molecular formula C9H10N2O5S and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-[(4-sulfamoylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-sulfamoylbenzoyl)amino]acetic acid
PubChem CID10467688
Molecular FormulaC9H10N2O5S
Molecular Weight258.25 g/mol
Exact Mass258.03
IUPAC Name2-[(4-sulfamoylbenzoyl)amino]acetic acid
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
InChIKeyUEFOOXBQBNWTDR-UHFFFAOYSA-N
XLogP-0.85
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-sulfamoylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(4-sulfamoylbenzoyl)amino]acetic acid (CID 10467688) is 2-[(4-sulfamoylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-sulfamoylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(4-sulfamoylbenzoyl)amino]acetic acid is NS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-sulfamoylbenzoyl)amino]acetic acid?
The InChIKey is UEFOOXBQBNWTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16).
What are the key properties of 2-[(4-sulfamoylbenzoyl)amino]acetic acid?
2-[(4-sulfamoylbenzoyl)amino]acetic acid has a molecular weight of 258.25 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-sulfamoylbenzoyl)amino]acetic acid is sourced from PubChem (CID 10467688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).