5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid

C9H12ClN3O4S — CID 114175613

IUPAC5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
SMILESCNS(=O)(=O)CCNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C9H12ClN3O4S/c1-11-18(16,17)3-2-12-8-4-6(9(14)15)7(10)5-13-8/h4-5,11H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyOBOAXSVRBJWXNW-UHFFFAOYSA-N
MW293.73 g/mol
LogP0.39
Rot. Bonds6

About 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid

5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 114175613) has the molecular formula C9H12ClN3O4S and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID114175613
Molecular FormulaC9H12ClN3O4S
Molecular Weight293.73 g/mol
Exact Mass293.02
IUPAC Name5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
SMILESCNS(=O)(=O)CCNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C9H12ClN3O4S/c1-11-18(16,17)3-2-12-8-4-6(9(14)15)7(10)5-13-8/h4-5,11H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyOBOAXSVRBJWXNW-UHFFFAOYSA-N
XLogP0.39
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
CID 114919669
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106341908
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid
CID 114919583
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 114919065
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 114919693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid (CID 114175613) is 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid is CNS(=O)(=O)CCNc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is OBOAXSVRBJWXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O4S/c1-11-18(16,17)3-2-12-8-4-6(9(14)15)7(10)5-13-8/h4-5,11H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid?
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 293.73 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114175613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).