2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid

C15H13NO6S — CID 2380133

IUPAC2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H13NO6S/c17-14(18)9-10-5-7-11(8-6-10)23(21,22)16-13-4-2-1-3-12(13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKeyDIZUMLXYAVSNHD-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.81
Rot. Bonds6

About 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid

2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 2380133) has the molecular formula C15H13NO6S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid
PubChem CID2380133
Molecular FormulaC15H13NO6S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H13NO6S/c17-14(18)9-10-5-7-11(8-6-10)23(21,22)16-13-4-2-1-3-12(13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKeyDIZUMLXYAVSNHD-UHFFFAOYSA-N
XLogP1.81
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid (CID 2380133) is 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid is O=C(O)Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is DIZUMLXYAVSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6S/c17-14(18)9-10-5-7-11(8-6-10)23(21,22)16-13-4-2-1-3-12(13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid?
2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 335.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 2380133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).