1-butyl-3,5-diethylpyrazole-4-sulfonamide

C11H21N3O2S — CID 82700722

IUPAC1-butyl-3,5-diethylpyrazole-4-sulfonamide
SMILESCCCCn1nc(CC)c(S(N)(=O)=O)c1CC
InChIInChI=1S/C11H21N3O2S/c1-4-7-8-14-10(6-3)11(17(12,15)16)9(5-2)13-14/h4-8H2,1-3H3,(H2,12,15,16)
InChIKeyZLHFSTYVOLECJU-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.46
Rot. Bonds6

About 1-butyl-3,5-diethylpyrazole-4-sulfonamide

1-butyl-3,5-diethylpyrazole-4-sulfonamide (PubChem CID 82700722) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-butyl-3,5-diethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-butyl-3,5-diethylpyrazole-4-sulfonamide
PubChem CID82700722
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-butyl-3,5-diethylpyrazole-4-sulfonamide
SMILESCCCCn1nc(CC)c(S(N)(=O)=O)c1CC
InChIInChI=1S/C11H21N3O2S/c1-4-7-8-14-10(6-3)11(17(12,15)16)9(5-2)13-14/h4-8H2,1-3H3,(H2,12,15,16)
InChIKeyZLHFSTYVOLECJU-UHFFFAOYSA-N
XLogP1.46
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-diethylpyrazole-4-sulfonamide?
The IUPAC name of 1-butyl-3,5-diethylpyrazole-4-sulfonamide (CID 82700722) is 1-butyl-3,5-diethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-butyl-3,5-diethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-butyl-3,5-diethylpyrazole-4-sulfonamide is CCCCn1nc(CC)c(S(N)(=O)=O)c1CC.
What is the InChIKey of 1-butyl-3,5-diethylpyrazole-4-sulfonamide?
The InChIKey is ZLHFSTYVOLECJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-7-8-14-10(6-3)11(17(12,15)16)9(5-2)13-14/h4-8H2,1-3H3,(H2,12,15,16).
What are the key properties of 1-butyl-3,5-diethylpyrazole-4-sulfonamide?
1-butyl-3,5-diethylpyrazole-4-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-diethylpyrazole-4-sulfonamide is sourced from PubChem (CID 82700722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).