1-decyl-3,5-dimethylpyrazole-4-sulfonamide

C15H29N3O2S — CID 81336690

IUPAC1-decyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCCCCCCCCCn1nc(C)c(S(N)(=O)=O)c1C
InChIInChI=1S/C15H29N3O2S/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(13(2)17-18)21(16,19)20/h4-12H2,1-3H3,(H2,16,19,20)
InChIKeyJDHJKAOTYKHDDI-UHFFFAOYSA-N
MW315.48 g/mol
LogP3.29
Rot. Bonds10

About 1-decyl-3,5-dimethylpyrazole-4-sulfonamide

1-decyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 81336690) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-decyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-decyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID81336690
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-decyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCCCCCCCCCn1nc(C)c(S(N)(=O)=O)c1C
InChIInChI=1S/C15H29N3O2S/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(13(2)17-18)21(16,19)20/h4-12H2,1-3H3,(H2,16,19,20)
InChIKeyJDHJKAOTYKHDDI-UHFFFAOYSA-N
XLogP3.29
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 53.29
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-decyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-decyl-3,5-dimethylpyrazole-4-sulfonamide (CID 81336690) is 1-decyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-decyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-decyl-3,5-dimethylpyrazole-4-sulfonamide is CCCCCCCCCCn1nc(C)c(S(N)(=O)=O)c1C.
What is the InChIKey of 1-decyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is JDHJKAOTYKHDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(13(2)17-18)21(16,19)20/h4-12H2,1-3H3,(H2,16,19,20).
What are the key properties of 1-decyl-3,5-dimethylpyrazole-4-sulfonamide?
1-decyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 81336690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).