N-hexyl-1,3-dimethylpyrazole-4-sulfonamide

C11H21N3O2S — CID 19681255

IUPACN-hexyl-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C11H21N3O2S/c1-4-5-6-7-8-12-17(15,16)11-9-14(3)13-10(11)2/h9,12H,4-8H2,1-3H3
InChIKeyAPLHJJYUJRJXMM-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.59
Rot. Bonds7

About N-hexyl-1,3-dimethylpyrazole-4-sulfonamide

N-hexyl-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 19681255) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-hexyl-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-hexyl-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID19681255
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-hexyl-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C11H21N3O2S/c1-4-5-6-7-8-12-17(15,16)11-9-14(3)13-10(11)2/h9,12H,4-8H2,1-3H3
InChIKeyAPLHJJYUJRJXMM-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.59
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

1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 42282214
3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
CID 42283296
1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-hexyl-1,3-dimethylpyrazole-4-sulfonamide (CID 19681255) is N-hexyl-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-hexyl-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-hexyl-1,3-dimethylpyrazole-4-sulfonamide is CCCCCCNS(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of N-hexyl-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is APLHJJYUJRJXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-5-6-7-8-12-17(15,16)11-9-14(3)13-10(11)2/h9,12H,4-8H2,1-3H3.
What are the key properties of N-hexyl-1,3-dimethylpyrazole-4-sulfonamide?
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).