2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid

C12H8Cl2N2O4S — CID 64607834

IUPAC2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O4S/c13-9-5-7(6-15-11(9)14)21(19,20)16-10-4-2-1-3-8(10)12(17)18/h1-6,16H,(H,17,18)
InChIKeySBEBNGIBGMFDPC-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.89
Rot. Bonds4

About 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid

2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid (PubChem CID 64607834) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
PubChem CID64607834
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O4S/c13-9-5-7(6-15-11(9)14)21(19,20)16-10-4-2-1-3-8(10)12(17)18/h1-6,16H,(H,17,18)
InChIKeySBEBNGIBGMFDPC-UHFFFAOYSA-N
XLogP2.89
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
CID 4730940
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
CID 4731003
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
5,6-dichloro-N-(4-hydroxy-2-methylphenyl)pyridine-3-sulfonamide
CID 64606325
N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide
CID 110618393
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-phenylacetamide
CID 110304512
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 103930794

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid (CID 64607834) is 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid?
The InChIKey is SBEBNGIBGMFDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-9-5-7(6-15-11(9)14)21(19,20)16-10-4-2-1-3-8(10)12(17)18/h1-6,16H,(H,17,18).
What are the key properties of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid?
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid has a molecular weight of 347.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 64607834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).