3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid

C9H12ClN3O4S — CID 107061881

IUPAC3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
SMILESCS(=O)(=O)NCCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C9H12ClN3O4S/c1-18(16,17)13-5-4-12-8-7(10)6(9(14)15)2-3-11-8/h2-3,13H,4-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyVOPLCQBTLWTDPD-UHFFFAOYSA-N
MW293.73 g/mol
LogP0.39
Rot. Bonds6

About 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid

3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid (PubChem CID 107061881) has the molecular formula C9H12ClN3O4S and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
PubChem CID107061881
Molecular FormulaC9H12ClN3O4S
Molecular Weight293.73 g/mol
Exact Mass293.02
IUPAC Name3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
SMILESCS(=O)(=O)NCCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C9H12ClN3O4S/c1-18(16,17)13-5-4-12-8-7(10)6(9(14)15)2-3-11-8/h2-3,13H,4-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyVOPLCQBTLWTDPD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850
4-chloro-2-[2-(methanesulfonamido)ethylamino]benzoic acid
CID 55180982
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid (CID 107061881) is 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid is CS(=O)(=O)NCCNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is VOPLCQBTLWTDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O4S/c1-18(16,17)13-5-4-12-8-7(10)6(9(14)15)2-3-11-8/h2-3,13H,4-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid?
3-chloro-2-[2-(methanesulfonamido)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 3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107061881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).