2-(sulfonylamino)benzoic acid

C7H5NO4S — CID 19737501

IUPAC2-(sulfonylamino)benzoic acid
SMILESO=C(O)c1ccccc1N=S(=O)=O
InChIInChI=1S/C7H5NO4S/c9-7(10)5-3-1-2-4-6(5)8-13(11)12/h1-4H,(H,9,10)
InChIKeyNNJBQTDFDVLWEQ-UHFFFAOYSA-N
MW199.19 g/mol
LogP1.08
Rot. Bonds2

About 2-(sulfonylamino)benzoic acid

2-(sulfonylamino)benzoic acid (PubChem CID 19737501) has the molecular formula C7H5NO4S and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-(sulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-(sulfonylamino)benzoic acid
PubChem CID19737501
Molecular FormulaC7H5NO4S
Molecular Weight199.19 g/mol
Exact Mass198.99
IUPAC Name2-(sulfonylamino)benzoic acid
SMILESO=C(O)c1ccccc1N=S(=O)=O
InChIInChI=1S/C7H5NO4S/c9-7(10)5-3-1-2-4-6(5)8-13(11)12/h1-4H,(H,9,10)
InChIKeyNNJBQTDFDVLWEQ-UHFFFAOYSA-N
XLogP1.08
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(sulfonylamino)benzoic acid?
The IUPAC name of 2-(sulfonylamino)benzoic acid (CID 19737501) is 2-(sulfonylamino)benzoic acid.
What is the SMILES notation for 2-(sulfonylamino)benzoic acid?
The canonical SMILES for 2-(sulfonylamino)benzoic acid is O=C(O)c1ccccc1N=S(=O)=O.
What is the InChIKey of 2-(sulfonylamino)benzoic acid?
The InChIKey is NNJBQTDFDVLWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4S/c9-7(10)5-3-1-2-4-6(5)8-13(11)12/h1-4H,(H,9,10).
What are the key properties of 2-(sulfonylamino)benzoic acid?
2-(sulfonylamino)benzoic acid has a molecular weight of 199.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfonylamino)benzoic acid is sourced from PubChem (CID 19737501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).