6-chlorosulfonylpyridine-3-carboxylic acid

C6H4ClNO4S — CID 58017306

IUPAC6-chlorosulfonylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Cl)nc1
InChIInChI=1S/C6H4ClNO4S/c7-13(11,12)5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChIKeyQEHRTDHJVOOJGW-UHFFFAOYSA-N
MW221.62 g/mol
LogP0.71
Rot. Bonds2

About 6-chlorosulfonylpyridine-3-carboxylic acid

6-chlorosulfonylpyridine-3-carboxylic acid (PubChem CID 58017306) has the molecular formula C6H4ClNO4S and a molecular weight of 221.62 g/mol. Its IUPAC name is 6-chlorosulfonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chlorosulfonylpyridine-3-carboxylic acid
PubChem CID58017306
Molecular FormulaC6H4ClNO4S
Molecular Weight221.62 g/mol
Exact Mass220.95
IUPAC Name6-chlorosulfonylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Cl)nc1
InChIInChI=1S/C6H4ClNO4S/c7-13(11,12)5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChIKeyQEHRTDHJVOOJGW-UHFFFAOYSA-N
XLogP0.71
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.62
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873942
6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872022
6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874134
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873154
5-bromopyridine-2-sulfonyl chloride;hydrochloride
CID 46738887
6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356

Frequently Asked Questions

What is the IUPAC name of 6-chlorosulfonylpyridine-3-carboxylic acid?
The IUPAC name of 6-chlorosulfonylpyridine-3-carboxylic acid (CID 58017306) is 6-chlorosulfonylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-chlorosulfonylpyridine-3-carboxylic acid?
The canonical SMILES for 6-chlorosulfonylpyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Cl)nc1.
What is the InChIKey of 6-chlorosulfonylpyridine-3-carboxylic acid?
The InChIKey is QEHRTDHJVOOJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO4S/c7-13(11,12)5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10).
What are the key properties of 6-chlorosulfonylpyridine-3-carboxylic acid?
6-chlorosulfonylpyridine-3-carboxylic acid has a molecular weight of 221.62 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorosulfonylpyridine-3-carboxylic acid is sourced from PubChem (CID 58017306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).