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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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).