1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide

C6H10BrN3O2S — CID 104621211

IUPAC1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCc1cc(NS(=O)(=O)CBr)n[nH]1
InChIInChI=1S/C6H10BrN3O2S/c1-2-5-3-6(9-8-5)10-13(11,12)4-7/h3H,2,4H2,1H3,(H2,8,9,10)
InChIKeySYOWMRNDAQRCCP-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.07
Rot. Bonds4

About 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide

1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 104621211) has the molecular formula C6H10BrN3O2S and a molecular weight of 268.14 g/mol. Its IUPAC name is 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID104621211
Molecular FormulaC6H10BrN3O2S
Molecular Weight268.14 g/mol
Exact Mass266.97
IUPAC Name1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCc1cc(NS(=O)(=O)CBr)n[nH]1
InChIInChI=1S/C6H10BrN3O2S/c1-2-5-3-6(9-8-5)10-13(11,12)4-7/h3H,2,4H2,1H3,(H2,8,9,10)
InChIKeySYOWMRNDAQRCCP-UHFFFAOYSA-N
XLogP1.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide (CID 104621211) is 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide is CCc1cc(NS(=O)(=O)CBr)n[nH]1.
What is the InChIKey of 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is SYOWMRNDAQRCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3O2S/c1-2-5-3-6(9-8-5)10-13(11,12)4-7/h3H,2,4H2,1H3,(H2,8,9,10).
What are the key properties of 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide?
1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 268.14 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 104621211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).