3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid

C13H11ClN2O4S — CID 115777996

IUPAC3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H11ClN2O4S/c1-8-4-5-9(14)7-11(8)21(19,20)16-10-3-2-6-15-12(10)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyNZHJRJYDDCAEGU-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.54
Rot. Bonds4

About 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid

3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 115777996) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID115777996
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H11ClN2O4S/c1-8-4-5-9(14)7-11(8)21(19,20)16-10-3-2-6-15-12(10)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyNZHJRJYDDCAEGU-UHFFFAOYSA-N
XLogP2.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
3-(ethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740614
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 104740611
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
3-(propylsulfamoylamino)pyridine-2-carboxylic acid
CID 114807104
2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652535
5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
CID 55896349
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 115777996) is 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is NZHJRJYDDCAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-8-4-5-9(14)7-11(8)21(19,20)16-10-3-2-6-15-12(10)13(17)18/h2-7,16H,1H3,(H,17,18).
What are the key properties of 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 326.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115777996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).