5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide

C6H10ClN3O3S — CID 18509295

IUPAC5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide
SMILESCONS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C6H10ClN3O3S/c1-4-5(6(7)10(2)8-4)14(11,12)9-13-3/h9H,1-3H3
InChIKeyLFSZQLRRJHNOQX-UHFFFAOYSA-N
MW239.68 g/mol
LogP0.22
Rot. Bonds3

About 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 18509295) has the molecular formula C6H10ClN3O3S and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID18509295
Molecular FormulaC6H10ClN3O3S
Molecular Weight239.68 g/mol
Exact Mass239.01
IUPAC Name5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide
SMILESCONS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C6H10ClN3O3S/c1-4-5(6(7)10(2)8-4)14(11,12)9-13-3/h9H,1-3H3
InChIKeyLFSZQLRRJHNOQX-UHFFFAOYSA-N
XLogP0.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide (CID 18509295) is 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide is CONS(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is LFSZQLRRJHNOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O3S/c1-4-5(6(7)10(2)8-4)14(11,12)9-13-3/h9H,1-3H3.
What are the key properties of 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 239.68 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 18509295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).