6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid

C13H11ClN2O4S — CID 63873154

IUPAC6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)nc1
InChIInChI=1S/C13H11ClN2O4S/c14-11-4-2-1-3-9(11)8-16-21(19,20)12-6-5-10(7-15-12)13(17)18/h1-7,16H,8H2,(H,17,18)
InChIKeyDUYCLKOFPCFCRY-UHFFFAOYSA-N
MW326.76 g/mol
LogP1.91
Rot. Bonds5

About 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid

6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63873154) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
PubChem CID63873154
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)nc1
InChIInChI=1S/C13H11ClN2O4S/c14-11-4-2-1-3-9(11)8-16-21(19,20)12-6-5-10(7-15-12)13(17)18/h1-7,16H,8H2,(H,17,18)
InChIKeyDUYCLKOFPCFCRY-UHFFFAOYSA-N
XLogP1.91
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
CID 63872025
6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63874522
6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872589
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-(hex-5-ynylsulfamoyl)pyridine-3-carboxylic acid
CID 106209006
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 66005787
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid (CID 63873154) is 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)nc1.
What is the InChIKey of 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is DUYCLKOFPCFCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c14-11-4-2-1-3-9(11)8-16-21(19,20)12-6-5-10(7-15-12)13(17)18/h1-7,16H,8H2,(H,17,18).
What are the key properties of 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid?
6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 326.76 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63873154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).