N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide

C13H25N3O2S — CID 19681666

IUPACN-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C13H25N3O2S/c1-5-7-8-12(6-2)9-15-19(17,18)13-10-14-16(4)11(13)3/h10,12,15H,5-9H2,1-4H3
InChIKeyWXFKGMYFYUZEJJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.22
Rot. Bonds8

About N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19681666) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID19681666
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C13H25N3O2S/c1-5-7-8-12(6-2)9-15-19(17,18)13-10-14-16(4)11(13)3/h10,12,15H,5-9H2,1-4H3
InChIKeyWXFKGMYFYUZEJJ-UHFFFAOYSA-N
XLogP2.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 19681666) is N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1cnn(C)c1C.
What is the InChIKey of N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is WXFKGMYFYUZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-5-7-8-12(6-2)9-15-19(17,18)13-10-14-16(4)11(13)3/h10,12,15H,5-9H2,1-4H3.
What are the key properties of N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).