6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid

C11H12N4O4S — CID 63872227

IUPAC6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)cn2)cn1
InChIInChI=1S/C11H12N4O4S/c1-2-15-7-9(6-13-15)14-20(18,19)10-4-3-8(5-12-10)11(16)17/h3-7,14H,2H2,1H3,(H,16,17)
InChIKeyBZDLMXLUUNWPDQ-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.80
Rot. Bonds5

About 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid

6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872227) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872227
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)cn2)cn1
InChIInChI=1S/C11H12N4O4S/c1-2-15-7-9(6-13-15)14-20(18,19)10-4-3-8(5-12-10)11(16)17/h3-7,14H,2H2,1H3,(H,16,17)
InChIKeyBZDLMXLUUNWPDQ-UHFFFAOYSA-N
XLogP0.80
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 56813250
3-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methylbenzoic acid
CID 63744322
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid (CID 63872227) is 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid is CCn1cc(NS(=O)(=O)c2ccc(C(=O)O)cn2)cn1.
What is the InChIKey of 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is BZDLMXLUUNWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-2-15-7-9(6-13-15)14-20(18,19)10-4-3-8(5-12-10)11(16)17/h3-7,14H,2H2,1H3,(H,16,17).
What are the key properties of 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 296.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).