6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid

C12H9ClN2O4S — CID 61319004

IUPAC6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C12H9ClN2O4S/c13-9-2-1-3-10(6-9)20(18,19)15-11-5-4-8(7-14-11)12(16)17/h1-7H,(H,14,15)(H,16,17)
InChIKeyMISCCMCCWXTCGJ-UHFFFAOYSA-N
MW312.73 g/mol
LogP2.23
Rot. Bonds4

About 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid

6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 61319004) has the molecular formula C12H9ClN2O4S and a molecular weight of 312.73 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID61319004
Molecular FormulaC12H9ClN2O4S
Molecular Weight312.73 g/mol
Exact Mass312.00
IUPAC Name6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C12H9ClN2O4S/c13-9-2-1-3-10(6-9)20(18,19)15-11-5-4-8(7-14-11)12(16)17/h1-7H,(H,14,15)(H,16,17)
InChIKeyMISCCMCCWXTCGJ-UHFFFAOYSA-N
XLogP2.23
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61317579
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210
3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 62353939
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzenesulfonamide
CID 113025354
3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
CID 113037344
6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 115273583
6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
CID 55232021
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076
3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
CID 116786477
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 61319004) is 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)nc1.
What is the InChIKey of 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is MISCCMCCWXTCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4S/c13-9-2-1-3-10(6-9)20(18,19)15-11-5-4-8(7-14-11)12(16)17/h1-7H,(H,14,15)(H,16,17).
What are the key properties of 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 312.73 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61319004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).