N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide

C8H11N3O2S — CID 115662723

IUPACN-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H11N3O2S/c1-3-4-7(2)11-14(12,13)8-5-9-6-10-8/h1,5-7,11H,4H2,2H3,(H,9,10)
InChIKeyLHPZJVMWYAWHHS-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.10
Rot. Bonds4

About N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide

N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 115662723) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
PubChem CID115662723
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H11N3O2S/c1-3-4-7(2)11-14(12,13)8-5-9-6-10-8/h1,5-7,11H,4H2,2H3,(H,9,10)
InChIKeyLHPZJVMWYAWHHS-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-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626
N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
CID 64994110
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
CID 99793097
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943314
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
CID 81005469
N-(4-bromo-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106158527
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 113239207
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide (CID 115662723) is N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide is C#CCC(C)NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is LHPZJVMWYAWHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-3-4-7(2)11-14(12,13)8-5-9-6-10-8/h1,5-7,11H,4H2,2H3,(H,9,10).
What are the key properties of N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide?
N-pent-4-yn-2-yl-1H-imidazole-5-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-4-yn-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 115662723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).