1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide

C17H33N3O2S — CID 19681472

IUPAC1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
SMILESCCCCCCCCCCCNS(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C17H33N3O2S/c1-4-6-7-8-9-10-11-12-13-14-19-23(21,22)17-15-18-20(5-2)16(17)3/h15,19H,4-14H2,1-3H3
InChIKeySNYKHUBVCLKSJA-UHFFFAOYSA-N
MW343.54 g/mol
LogP4.02
Rot. Bonds13

About 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide

1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide (PubChem CID 19681472) has the molecular formula C17H33N3O2S and a molecular weight of 343.54 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
PubChem CID19681472
Molecular FormulaC17H33N3O2S
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC Name1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
SMILESCCCCCCCCCCCNS(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C17H33N3O2S/c1-4-6-7-8-9-10-11-12-13-14-19-23(21,22)17-15-18-20(5-2)16(17)3/h15,19H,4-14H2,1-3H3
InChIKeySNYKHUBVCLKSJA-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.02
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-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide (CID 19681472) is 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide is CCCCCCCCCCCNS(=O)(=O)c1cnn(CC)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide?
The InChIKey is SNYKHUBVCLKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2S/c1-4-6-7-8-9-10-11-12-13-14-19-23(21,22)17-15-18-20(5-2)16(17)3/h15,19H,4-14H2,1-3H3.
What are the key properties of 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide?
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide has a molecular weight of 343.54 g/mol, XLogP of 4.02, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).