4-methoxy-N,N-dimethylpyrazole-1-sulfonamide

C6H11N3O3S — CID 118962275

IUPAC4-methoxy-N,N-dimethylpyrazole-1-sulfonamide
SMILESCOc1cnn(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C6H11N3O3S/c1-8(2)13(10,11)9-5-6(12-3)4-7-9/h4-5H,1-3H3
InChIKeyHTLXDHTWDSZRMK-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.45
Rot. Bonds3

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

4-methoxy-N,N-dimethylpyrazole-1-sulfonamide (PubChem CID 118962275) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethylpyrazole-1-sulfonamide
PubChem CID118962275
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Name4-methoxy-N,N-dimethylpyrazole-1-sulfonamide
SMILESCOc1cnn(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C6H11N3O3S/c1-8(2)13(10,11)9-5-6(12-3)4-7-9/h4-5H,1-3H3
InChIKeyHTLXDHTWDSZRMK-UHFFFAOYSA-N
XLogP-0.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide?
The IUPAC name of 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide (CID 118962275) is 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide?
The canonical SMILES for 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide is COc1cnn(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide?
The InChIKey is HTLXDHTWDSZRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-8(2)13(10,11)9-5-6(12-3)4-7-9/h4-5H,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide?
4-methoxy-N,N-dimethylpyrazole-1-sulfonamide has a molecular weight of 205.24 g/mol, XLogP of -0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethylpyrazole-1-sulfonamide is sourced from PubChem (CID 118962275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).