N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide

C13H15N3O4S — CID 3242763

IUPACN-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H15N3O4S/c1-8-13(9(2)16(3)14-8)21(17,18)15-10-4-5-11-12(6-10)20-7-19-11/h4-6,15H,7H2,1-3H3
InChIKeyJULIHACIDDNKBJ-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.57
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 3242763) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID3242763
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H15N3O4S/c1-8-13(9(2)16(3)14-8)21(17,18)15-10-4-5-11-12(6-10)20-7-19-11/h4-6,15H,7H2,1-3H3
InChIKeyJULIHACIDDNKBJ-UHFFFAOYSA-N
XLogP1.57
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 3242763) is N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is JULIHACIDDNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-13(9(2)16(3)14-8)21(17,18)15-10-4-5-11-12(6-10)20-7-19-11/h4-6,15H,7H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3242763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).