N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide

C8H13N3O2S — CID 115628631

IUPACN-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2S/c1-2-3-4-5-11-14(12,13)8-6-9-10-7-8/h2-3,6-7,11H,4-5H2,1H3,(H,9,10)/b3-2+
InChIKeyAMYMIJPYHOCVAN-NSCUHMNNSA-N
MW215.28 g/mol
LogP0.65
Rot. Bonds5

About N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide

N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide (PubChem CID 115628631) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
PubChem CID115628631
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2S/c1-2-3-4-5-11-14(12,13)8-6-9-10-7-8/h2-3,6-7,11H,4-5H2,1H3,(H,9,10)/b3-2+
InChIKeyAMYMIJPYHOCVAN-NSCUHMNNSA-N
XLogP0.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628668
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
CID 115599999
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54903977

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide (CID 115628631) is N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide is C/C=C/CCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is AMYMIJPYHOCVAN-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-3-4-5-11-14(12,13)8-6-9-10-7-8/h2-3,6-7,11H,4-5H2,1H3,(H,9,10)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide?
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115628631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).