N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide

C8H14ClN3O2S — CID 106135484

IUPACN-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14ClN3O2S/c1-7(9)3-2-4-12-15(13,14)8-5-10-11-6-8/h5-7,12H,2-4H2,1H3,(H,10,11)
InChIKeyIEEVZGLIXZRMPX-UHFFFAOYSA-N
MW251.74 g/mol
LogP1.10
Rot. Bonds6

About N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide

N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106135484) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
PubChem CID106135484
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC NameN-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14ClN3O2S/c1-7(9)3-2-4-12-15(13,14)8-5-10-11-6-8/h5-7,12H,2-4H2,1H3,(H,10,11)
InChIKeyIEEVZGLIXZRMPX-UHFFFAOYSA-N
XLogP1.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158333
N-(4-chloro-2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 66089488
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
CID 115599999
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
CID 115628631
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 79267207

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide (CID 106135484) is N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide is CC(Cl)CCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is IEEVZGLIXZRMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-7(9)3-2-4-12-15(13,14)8-5-10-11-6-8/h5-7,12H,2-4H2,1H3,(H,10,11).
What are the key properties of N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide?
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106135484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).