5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid

C10H11N3O5S — CID 104709706

IUPAC5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
SMILESCn1nccc1S(=O)(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C10H11N3O5S/c1-13-9(4-5-11-13)19(16,17)12-6-7-2-3-8(18-7)10(14)15/h2-5,12H,6H2,1H3,(H,14,15)
InChIKeyQJGUOZTXAIJSLS-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.19
Rot. Bonds5

About 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid

5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid (PubChem CID 104709706) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
PubChem CID104709706
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
SMILESCn1nccc1S(=O)(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C10H11N3O5S/c1-13-9(4-5-11-13)19(16,17)12-6-7-2-3-8(18-7)10(14)15/h2-5,12H,6H2,1H3,(H,14,15)
InChIKeyQJGUOZTXAIJSLS-UHFFFAOYSA-N
XLogP0.19
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993357
4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide
CID 104710764
2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide
CID 155948671
5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
CID 82839821
2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide
CID 136531661
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide
CID 128995357
5-[(azepan-1-ylsulfonylamino)methyl]furan-2-carboxylic acid
CID 75356375
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 104710131
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid (CID 104709706) is 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid is Cn1nccc1S(=O)(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The InChIKey is QJGUOZTXAIJSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-13-9(4-5-11-13)19(16,17)12-6-7-2-3-8(18-7)10(14)15/h2-5,12H,6H2,1H3,(H,14,15).
What are the key properties of 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 104709706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).