N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide

C5H8BrN3O2S — CID 4584368

IUPACN-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1[nH]ncc1Br
InChIInChI=1S/C5H8BrN3O2S/c1-2-12(10,11)9-5-4(6)3-7-8-5/h3H,2H2,1H3,(H2,7,8,9)
InChIKeyCJCHYYKZNLSKLH-UHFFFAOYSA-N
MW254.11 g/mol
LogP0.93
Rot. Bonds3

About N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide

N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide (PubChem CID 4584368) has the molecular formula C5H8BrN3O2S and a molecular weight of 254.11 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide
PubChem CID4584368
Molecular FormulaC5H8BrN3O2S
Molecular Weight254.11 g/mol
Exact Mass252.95
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1[nH]ncc1Br
InChIInChI=1S/C5H8BrN3O2S/c1-2-12(10,11)9-5-4(6)3-7-8-5/h3H,2H2,1H3,(H2,7,8,9)
InChIKeyCJCHYYKZNLSKLH-UHFFFAOYSA-N
XLogP0.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide (CID 4584368) is N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1[nH]ncc1Br.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide?
The InChIKey is CJCHYYKZNLSKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3O2S/c1-2-12(10,11)9-5-4(6)3-7-8-5/h3H,2H2,1H3,(H2,7,8,9).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide?
N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide has a molecular weight of 254.11 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 4584368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).