4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid

C15H13NO5S — CID 134065363

IUPAC4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H13NO5S/c17-14(10-22(20,21)13-4-2-1-3-5-13)16-12-8-6-11(7-9-12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyHLDOMWMJDOPTEV-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.80
Rot. Bonds5

About 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid

4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid (PubChem CID 134065363) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid
PubChem CID134065363
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H13NO5S/c17-14(10-22(20,21)13-4-2-1-3-5-13)16-12-8-6-11(7-9-12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyHLDOMWMJDOPTEV-UHFFFAOYSA-N
XLogP1.80
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid (CID 134065363) is 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid is O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid?
The InChIKey is HLDOMWMJDOPTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c17-14(10-22(20,21)13-4-2-1-3-5-13)16-12-8-6-11(7-9-12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid?
4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid has a molecular weight of 319.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzenesulfonyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 134065363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).