1-pentan-2-ylpyrazole-4-sulfonamide

C8H15N3O2S — CID 107889714

IUPAC1-pentan-2-ylpyrazole-4-sulfonamide
SMILESCCCC(C)n1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C8H15N3O2S/c1-3-4-7(2)11-6-8(5-10-11)14(9,12)13/h5-7H,3-4H2,1-2H3,(H2,9,12,13)
InChIKeyYDCZMGNRASEWNI-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.89
Rot. Bonds4

About 1-pentan-2-ylpyrazole-4-sulfonamide

1-pentan-2-ylpyrazole-4-sulfonamide (PubChem CID 107889714) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-pentan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-pentan-2-ylpyrazole-4-sulfonamide
PubChem CID107889714
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-pentan-2-ylpyrazole-4-sulfonamide
SMILESCCCC(C)n1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C8H15N3O2S/c1-3-4-7(2)11-6-8(5-10-11)14(9,12)13/h5-7H,3-4H2,1-2H3,(H2,9,12,13)
InChIKeyYDCZMGNRASEWNI-UHFFFAOYSA-N
XLogP0.89
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-pentan-2-ylpyrazole-4-sulfonamide (CID 107889714) is 1-pentan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-pentan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-pentan-2-ylpyrazole-4-sulfonamide is CCCC(C)n1cc(S(N)(=O)=O)cn1.
What is the InChIKey of 1-pentan-2-ylpyrazole-4-sulfonamide?
The InChIKey is YDCZMGNRASEWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-4-7(2)11-6-8(5-10-11)14(9,12)13/h5-7H,3-4H2,1-2H3,(H2,9,12,13).
What are the key properties of 1-pentan-2-ylpyrazole-4-sulfonamide?
1-pentan-2-ylpyrazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 107889714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).