5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid

C10H14ClN3O4S — CID 106339921

IUPAC5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C10H14ClN3O4S/c1-2-14-19(17,18)4-3-12-9-8(11)5-7(6-13-9)10(15)16/h5-6,14H,2-4H2,1H3,(H,12,13)(H,15,16)
InChIKeyJTYQFCZANYDUMF-UHFFFAOYSA-N
MW307.76 g/mol
LogP0.78
Rot. Bonds7

About 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid

5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 106339921) has the molecular formula C10H14ClN3O4S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid
PubChem CID106339921
Molecular FormulaC10H14ClN3O4S
Molecular Weight307.76 g/mol
Exact Mass307.04
IUPAC Name5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C10H14ClN3O4S/c1-2-14-19(17,18)4-3-12-9-8(11)5-7(6-13-9)10(15)16/h5-6,14H,2-4H2,1H3,(H,12,13)(H,15,16)
InChIKeyJTYQFCZANYDUMF-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

3-chloro-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342805
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 61236750
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342809
3-bromo-5-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342816
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114100477
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186371
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid (CID 106339921) is 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid is CCNS(=O)(=O)CCNc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is JTYQFCZANYDUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S/c1-2-14-19(17,18)4-3-12-9-8(11)5-7(6-13-9)10(15)16/h5-6,14H,2-4H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid?
5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-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 5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106339921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).