5-(ethylsulfamoyl)pyridine-3-carboxylic acid

C8H10N2O4S — CID 57336582

IUPAC5-(ethylsulfamoyl)pyridine-3-carboxylic acid
SMILESCCNS(=O)(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/C8H10N2O4S/c1-2-10-15(13,14)7-3-6(8(11)12)4-9-5-7/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyDPVZFQGKAYANLA-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.08
Rot. Bonds4

About 5-(ethylsulfamoyl)pyridine-3-carboxylic acid

5-(ethylsulfamoyl)pyridine-3-carboxylic acid (PubChem CID 57336582) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(ethylsulfamoyl)pyridine-3-carboxylic acid
PubChem CID57336582
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name5-(ethylsulfamoyl)pyridine-3-carboxylic acid
SMILESCCNS(=O)(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/C8H10N2O4S/c1-2-10-15(13,14)7-3-6(8(11)12)4-9-5-7/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyDPVZFQGKAYANLA-UHFFFAOYSA-N
XLogP0.08
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethylsulfonylpyridine-3-carboxylic acid
CID 4738597
5-cyano-N-ethylpyridine-3-sulfonamide
CID 130585950
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 993374
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
CID 114324371
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid
CID 114814582
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
N-ethyl-1H-imidazo[4,5-b]pyridine-6-sulfonamide
CID 168899012
3-(propylsulfamoyl)benzoic acid
CID 2442822
6-amino-N-ethyl-5-methylpyridine-3-sulfonamide
CID 82471323

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(ethylsulfamoyl)pyridine-3-carboxylic acid (CID 57336582) is 5-(ethylsulfamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(ethylsulfamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(ethylsulfamoyl)pyridine-3-carboxylic acid is CCNS(=O)(=O)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-(ethylsulfamoyl)pyridine-3-carboxylic acid?
The InChIKey is DPVZFQGKAYANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-2-10-15(13,14)7-3-6(8(11)12)4-9-5-7/h3-5,10H,2H2,1H3,(H,11,12).
What are the key properties of 5-(ethylsulfamoyl)pyridine-3-carboxylic acid?
5-(ethylsulfamoyl)pyridine-3-carboxylic acid has a molecular weight of 230.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 57336582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).