3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid

C13H13N3O4S — CID 63260100

IUPAC3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2nccnc2C(=O)O)cc1
InChIInChI=1S/C13H13N3O4S/c1-2-9-3-5-10(6-4-9)21(19,20)16-12-11(13(17)18)14-7-8-15-12/h3-8H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyAZRZBAMVQGLVCB-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.54
Rot. Bonds5

About 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid

3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63260100) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63260100
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2nccnc2C(=O)O)cc1
InChIInChI=1S/C13H13N3O4S/c1-2-9-3-5-10(6-4-9)21(19,20)16-12-11(13(17)18)14-7-8-15-12/h3-8H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyAZRZBAMVQGLVCB-UHFFFAOYSA-N
XLogP1.54
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262061
3-(propylsulfonylamino)pyrazine-2-carboxylic acid
CID 63260393
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid
CID 63857683
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43475054
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 43361454
3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid
CID 63259740
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
2-(4-ethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54782995
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63260100) is 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid is CCc1ccc(S(=O)(=O)Nc2nccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is AZRZBAMVQGLVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-2-9-3-5-10(6-4-9)21(19,20)16-12-11(13(17)18)14-7-8-15-12/h3-8H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).