N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide

C8H11N3O2S — CID 106898738

IUPACN-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-10-6-8/h1,5-7,11H,4H2,2H3,(H,9,10)
InChIKeySVYWZSWDOMALPV-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.10
Rot. Bonds4

About N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide

N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide (PubChem CID 106898738) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide
PubChem CID106898738
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-10-6-8/h1,5-7,11H,4H2,2H3,(H,9,10)
InChIKeySVYWZSWDOMALPV-UHFFFAOYSA-N
XLogP0.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide
CID 61123860
N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115899543
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 79267207
N'-hydroxy-3-(1H-pyrazol-4-ylsulfonylamino)pentanimidamide
CID 76947951
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
3,4-difluoro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106898664
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
CID 61275343

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide (CID 106898738) is N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide is C#CC(CC)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is SVYWZSWDOMALPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-10-6-8/h1,5-7,11H,4H2,2H3,(H,9,10).
What are the key properties of N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide?
N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106898738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).