4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide

C7H13N3O3S — CID 170907700

IUPAC4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide
SMILESCCOc1cnn(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C7H13N3O3S/c1-4-13-7-5-8-10(6-7)14(11,12)9(2)3/h5-6H,4H2,1-3H3
InChIKeyPLHUXEIFOLLSFC-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.06
Rot. Bonds4

About 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide

4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide (PubChem CID 170907700) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide
PubChem CID170907700
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide
SMILESCCOc1cnn(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C7H13N3O3S/c1-4-13-7-5-8-10(6-7)14(11,12)9(2)3/h5-6H,4H2,1-3H3
InChIKeyPLHUXEIFOLLSFC-UHFFFAOYSA-N
XLogP-0.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide?
The IUPAC name of 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide (CID 170907700) is 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide.
What is the SMILES notation for 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide?
The canonical SMILES for 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide is CCOc1cnn(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide?
The InChIKey is PLHUXEIFOLLSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-4-13-7-5-8-10(6-7)14(11,12)9(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide?
4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide is sourced from PubChem (CID 170907700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).