3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide

C9H11N5O2S — CID 43616224

IUPAC3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C9H11N5O2S/c1-6-9(7(2)13-12-6)17(15,16)14-8-5-10-3-4-11-8/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKeyGBJQPAMCQCWMLC-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.62
Rot. Bonds3

About 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide (PubChem CID 43616224) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide
PubChem CID43616224
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C9H11N5O2S/c1-6-9(7(2)13-12-6)17(15,16)14-8-5-10-3-4-11-8/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKeyGBJQPAMCQCWMLC-UHFFFAOYSA-N
XLogP0.62
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide (CID 43616224) is 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnccn1.
What is the InChIKey of 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is GBJQPAMCQCWMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-6-9(7(2)13-12-6)17(15,16)14-8-5-10-3-4-11-8/h3-5H,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-pyrazin-2-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43616224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).