3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C14H19N3O4S — CID 3855267

IUPAC3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)16-22(18,19)11-6-7-12(20-4)13(8-11)21-5/h6-8,16H,1-5H3
InChIKeyJJLJWWIRGYNTKH-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.85
Rot. Bonds5

About 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3855267) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3855267
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)16-22(18,19)11-6-7-12(20-4)13(8-11)21-5/h6-8,16H,1-5H3
InChIKeyJJLJWWIRGYNTKH-UHFFFAOYSA-N
XLogP1.85
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3855267) is 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is JJLJWWIRGYNTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)16-22(18,19)11-6-7-12(20-4)13(8-11)21-5/h6-8,16H,1-5H3.
What are the key properties of 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3855267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).