2-methylpyrazole-3-sulfonamide

C4H7N3O2S — CID 22420731

IUPAC2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(N)(=O)=O
InChIInChI=1S/C4H7N3O2S/c1-7-4(2-3-6-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKeyZBJCDJIOGZUTPM-UHFFFAOYSA-N
MW161.19 g/mol
LogP-0.93
Rot. Bonds1

About 2-methylpyrazole-3-sulfonamide

2-methylpyrazole-3-sulfonamide (PubChem CID 22420731) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is 2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methylpyrazole-3-sulfonamide
PubChem CID22420731
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Name2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(N)(=O)=O
InChIInChI=1S/C4H7N3O2S/c1-7-4(2-3-6-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKeyZBJCDJIOGZUTPM-UHFFFAOYSA-N
XLogP-0.93
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazole-3-sulfonamide?
The IUPAC name of 2-methylpyrazole-3-sulfonamide (CID 22420731) is 2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for 2-methylpyrazole-3-sulfonamide?
The canonical SMILES for 2-methylpyrazole-3-sulfonamide is Cn1nccc1S(N)(=O)=O.
What is the InChIKey of 2-methylpyrazole-3-sulfonamide?
The InChIKey is ZBJCDJIOGZUTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S/c1-7-4(2-3-6-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9).
What are the key properties of 2-methylpyrazole-3-sulfonamide?
2-methylpyrazole-3-sulfonamide has a molecular weight of 161.19 g/mol, XLogP of -0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 22420731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).