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

C10H14ClN3O4S — CID 106342812

IUPAC3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C10H14ClN3O4S/c1-2-14-19(17,18)6-5-13-9-8(11)7(10(15)16)3-4-12-9/h3-4,14H,2,5-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyYGPWPEIRJPCVLL-UHFFFAOYSA-N
MW307.76 g/mol
LogP0.78
Rot. Bonds7

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

3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 106342812) has the molecular formula C10H14ClN3O4S and a molecular weight of 307.76 g/mol. Its IUPAC name is 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID106342812
Molecular FormulaC10H14ClN3O4S
Molecular Weight307.76 g/mol
Exact Mass307.04
IUPAC Name3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C10H14ClN3O4S/c1-2-14-19(17,18)6-5-13-9-8(11)7(10(15)16)3-4-12-9/h3-4,14H,2,5-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyYGPWPEIRJPCVLL-UHFFFAOYSA-N
XLogP0.78
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Methylamino)pyridine-4-carboxylic acid
CID 6484235
5-Chloro-2-(cyclopropylamino)pyridine-4-carboxylic acid
CID 114919009
2-[2-(Methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid
CID 43420766
2-(Ethylamino)pyridine-4-carboxylic acid
CID 23454818
2-(Butylamino)isonicotinic acid
CID 13500880
5-Fluoro-2-(methanesulfonamido)pyridine-4-carboxylic acid
CID 156084424
2-(2,2,2-Trifluoroethylsulfonylamino)pyridine-4-carboxylic acid
CID 156084462
5-Fluoro-2-(methylsulfonylmethylamino)pyridine-4-carboxylic acid
CID 156100447
2-(Difluoromethylsulfonylamino)pyridine-4-carboxylic acid
CID 64395621
2-[(3-Chloro-2-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
CID 64395841
2-[(3-Chloro-4-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
CID 64395842
2-[(4-Chloro-2-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
CID 64396281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid (CID 106342812) is 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid is CCNS(=O)(=O)CCNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is YGPWPEIRJPCVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S/c1-2-14-19(17,18)6-5-13-9-8(11)7(10(15)16)3-4-12-9/h3-4,14H,2,5-6H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid?
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 307.76 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106342812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).