N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C12H23N3O2S — CID 115613419

IUPACN-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H23N3O2S/c1-6-11(7-2)8-13-18(16,17)12-9(3)14-15(5)10(12)4/h11,13H,6-8H2,1-5H3
InChIKeyUHFGIURFSBXFOQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.75
Rot. Bonds6

About N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 115613419) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID115613419
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H23N3O2S/c1-6-11(7-2)8-13-18(16,17)12-9(3)14-15(5)10(12)4/h11,13H,6-8H2,1-5H3
InChIKeyUHFGIURFSBXFOQ-UHFFFAOYSA-N
XLogP1.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 115613419) is N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide is CCC(CC)CNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is UHFGIURFSBXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-6-11(7-2)8-13-18(16,17)12-9(3)14-15(5)10(12)4/h11,13H,6-8H2,1-5H3.
What are the key properties of N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 115613419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).