3-bromo-1-cyclobutylpyrazole-5-sulfonamide

C7H10BrN3O2S — CID 167741387

IUPAC3-bromo-1-cyclobutylpyrazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)nn1C1CCC1
InChIInChI=1S/C7H10BrN3O2S/c8-6-4-7(14(9,12)13)11(10-6)5-2-1-3-5/h4-5H,1-3H2,(H2,9,12,13)
InChIKeyMCGOYHWBVIPWSB-UHFFFAOYSA-N
MW280.15 g/mol
LogP1.02
Rot. Bonds2

About 3-bromo-1-cyclobutylpyrazole-5-sulfonamide

3-bromo-1-cyclobutylpyrazole-5-sulfonamide (PubChem CID 167741387) has the molecular formula C7H10BrN3O2S and a molecular weight of 280.15 g/mol. Its IUPAC name is 3-bromo-1-cyclobutylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-bromo-1-cyclobutylpyrazole-5-sulfonamide
PubChem CID167741387
Molecular FormulaC7H10BrN3O2S
Molecular Weight280.15 g/mol
Exact Mass278.97
IUPAC Name3-bromo-1-cyclobutylpyrazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)nn1C1CCC1
InChIInChI=1S/C7H10BrN3O2S/c8-6-4-7(14(9,12)13)11(10-6)5-2-1-3-5/h4-5H,1-3H2,(H2,9,12,13)
InChIKeyMCGOYHWBVIPWSB-UHFFFAOYSA-N
XLogP1.02
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclobutylpyrazole-5-sulfonamide?
The IUPAC name of 3-bromo-1-cyclobutylpyrazole-5-sulfonamide (CID 167741387) is 3-bromo-1-cyclobutylpyrazole-5-sulfonamide.
What is the SMILES notation for 3-bromo-1-cyclobutylpyrazole-5-sulfonamide?
The canonical SMILES for 3-bromo-1-cyclobutylpyrazole-5-sulfonamide is NS(=O)(=O)c1cc(Br)nn1C1CCC1.
What is the InChIKey of 3-bromo-1-cyclobutylpyrazole-5-sulfonamide?
The InChIKey is MCGOYHWBVIPWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2S/c8-6-4-7(14(9,12)13)11(10-6)5-2-1-3-5/h4-5H,1-3H2,(H2,9,12,13).
What are the key properties of 3-bromo-1-cyclobutylpyrazole-5-sulfonamide?
3-bromo-1-cyclobutylpyrazole-5-sulfonamide has a molecular weight of 280.15 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclobutylpyrazole-5-sulfonamide is sourced from PubChem (CID 167741387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).