N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide

C11H21N3O2S — CID 22204379

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)nn(CC)c1C
InChIInChI=1S/C11H21N3O2S/c1-5-7-8-17(15,16)13-11-9(3)12-14(6-2)10(11)4/h13H,5-8H2,1-4H3
InChIKeySELRUDUMTXVRIN-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.06
Rot. Bonds6

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide (PubChem CID 22204379) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
PubChem CID22204379
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)nn(CC)c1C
InChIInChI=1S/C11H21N3O2S/c1-5-7-8-17(15,16)13-11-9(3)12-14(6-2)10(11)4/h13H,5-8H2,1-4H3
InChIKeySELRUDUMTXVRIN-UHFFFAOYSA-N
XLogP2.06
TPSA63.99 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide (CID 22204379) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1c(C)nn(CC)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide?
The InChIKey is SELRUDUMTXVRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-7-8-17(15,16)13-11-9(3)12-14(6-2)10(11)4/h13H,5-8H2,1-4H3.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 22204379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).