1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide

C14H27N3O2S — CID 19684235

IUPAC1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C14H27N3O2S/c1-5-7-8-9-10-12(3)16-20(18,19)14-11-15-17(6-2)13(14)4/h11-12,16H,5-10H2,1-4H3
InChIKeyNIJBOGQTGUAHCV-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.85
Rot. Bonds9

About 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide

1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide (PubChem CID 19684235) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide
PubChem CID19684235
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C14H27N3O2S/c1-5-7-8-9-10-12(3)16-20(18,19)14-11-15-17(6-2)13(14)4/h11-12,16H,5-10H2,1-4H3
InChIKeyNIJBOGQTGUAHCV-UHFFFAOYSA-N
XLogP2.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22201552
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole
CID 135209476
3-amino-N-heptan-2-yl-2,5-dimethylbenzenesulfonamide
CID 79889741
2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
CID 63473663
2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
CID 62153864
3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
CID 107343405
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
CID 105358385

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide (CID 19684235) is 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide is CCCCCCC(C)NS(=O)(=O)c1cnn(CC)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide?
The InChIKey is NIJBOGQTGUAHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-5-7-8-9-10-12(3)16-20(18,19)14-11-15-17(6-2)13(14)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide?
1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide has a molecular weight of 301.46 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 19684235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).