2-[(3-carboxyphenyl)sulfonylamino]benzoic acid

C14H11NO6S — CID 746292

IUPAC2-[(3-carboxyphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C14H11NO6S/c16-13(17)9-4-3-5-10(8-9)22(20,21)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKeyHTKMBGILVAXNDQ-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.88
Rot. Bonds5

About 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid

2-[(3-carboxyphenyl)sulfonylamino]benzoic acid (PubChem CID 746292) has the molecular formula C14H11NO6S and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-carboxyphenyl)sulfonylamino]benzoic acid
PubChem CID746292
Molecular FormulaC14H11NO6S
Molecular Weight321.31 g/mol
Exact Mass321.03
IUPAC Name2-[(3-carboxyphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C14H11NO6S/c16-13(17)9-4-3-5-10(8-9)22(20,21)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKeyHTKMBGILVAXNDQ-UHFFFAOYSA-N
XLogP1.88
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid (CID 746292) is 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is HTKMBGILVAXNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6S/c16-13(17)9-4-3-5-10(8-9)22(20,21)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid?
2-[(3-carboxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 321.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 746292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).