1,3-dimethyl-N-octylpyrazole-4-sulfonamide

C13H25N3O2S — CID 19681357

IUPAC1,3-dimethyl-N-octylpyrazole-4-sulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C13H25N3O2S/c1-4-5-6-7-8-9-10-14-19(17,18)13-11-16(3)15-12(13)2/h11,14H,4-10H2,1-3H3
InChIKeyYGFKBZXQCNODSD-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.37
Rot. Bonds9

About 1,3-dimethyl-N-octylpyrazole-4-sulfonamide

1,3-dimethyl-N-octylpyrazole-4-sulfonamide (PubChem CID 19681357) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-octylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-octylpyrazole-4-sulfonamide
PubChem CID19681357
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1,3-dimethyl-N-octylpyrazole-4-sulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C13H25N3O2S/c1-4-5-6-7-8-9-10-14-19(17,18)13-11-16(3)15-12(13)2/h11,14H,4-10H2,1-3H3
InChIKeyYGFKBZXQCNODSD-UHFFFAOYSA-N
XLogP2.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.37
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
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 19681255
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 1,3-dimethyl-N-octylpyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-octylpyrazole-4-sulfonamide (CID 19681357) is 1,3-dimethyl-N-octylpyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-octylpyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-octylpyrazole-4-sulfonamide is CCCCCCCCNS(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-N-octylpyrazole-4-sulfonamide?
The InChIKey is YGFKBZXQCNODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-4-5-6-7-8-9-10-14-19(17,18)13-11-16(3)15-12(13)2/h11,14H,4-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-octylpyrazole-4-sulfonamide?
1,3-dimethyl-N-octylpyrazole-4-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-octylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).