1-decylpyrazole-4-sulfonamide

C13H25N3O2S — CID 81340467

IUPAC1-decylpyrazole-4-sulfonamide
SMILESCCCCCCCCCCn1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C13H25N3O2S/c1-2-3-4-5-6-7-8-9-10-16-12-13(11-15-16)19(14,17)18/h11-12H,2-10H2,1H3,(H2,14,17,18)
InChIKeyCFQZSWDQJNBWIV-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.67
Rot. Bonds10

About 1-decylpyrazole-4-sulfonamide

1-decylpyrazole-4-sulfonamide (PubChem CID 81340467) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-decylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-decylpyrazole-4-sulfonamide
PubChem CID81340467
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-decylpyrazole-4-sulfonamide
SMILESCCCCCCCCCCn1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C13H25N3O2S/c1-2-3-4-5-6-7-8-9-10-16-12-13(11-15-16)19(14,17)18/h11-12H,2-10H2,1H3,(H2,14,17,18)
InChIKeyCFQZSWDQJNBWIV-UHFFFAOYSA-N
XLogP2.67
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.67
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 1-decylpyrazole-4-sulfonamide?
The IUPAC name of 1-decylpyrazole-4-sulfonamide (CID 81340467) is 1-decylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-decylpyrazole-4-sulfonamide?
The canonical SMILES for 1-decylpyrazole-4-sulfonamide is CCCCCCCCCCn1cc(S(N)(=O)=O)cn1.
What is the InChIKey of 1-decylpyrazole-4-sulfonamide?
The InChIKey is CFQZSWDQJNBWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-2-3-4-5-6-7-8-9-10-16-12-13(11-15-16)19(14,17)18/h11-12H,2-10H2,1H3,(H2,14,17,18).
What are the key properties of 1-decylpyrazole-4-sulfonamide?
1-decylpyrazole-4-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpyrazole-4-sulfonamide is sourced from PubChem (CID 81340467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).