3-amino-4-bromopyrazole-1-sulfonamide

C3H5BrN4O2S — CID 131059441

IUPAC3-amino-4-bromopyrazole-1-sulfonamide
SMILESNc1nn(S(N)(=O)=O)cc1Br
InChIInChI=1S/C3H5BrN4O2S/c4-2-1-8(7-3(2)5)11(6,9)10/h1H,(H2,5,7)(H2,6,9,10)
InChIKeyANFFMGLPZHGAKE-UHFFFAOYSA-N
MW241.07 g/mol
LogP-0.72
Rot. Bonds1

About 3-amino-4-bromopyrazole-1-sulfonamide

3-amino-4-bromopyrazole-1-sulfonamide (PubChem CID 131059441) has the molecular formula C3H5BrN4O2S and a molecular weight of 241.07 g/mol. Its IUPAC name is 3-amino-4-bromopyrazole-1-sulfonamide.

Molecular Properties

Compound Name3-amino-4-bromopyrazole-1-sulfonamide
PubChem CID131059441
Molecular FormulaC3H5BrN4O2S
Molecular Weight241.07 g/mol
Exact Mass239.93
IUPAC Name3-amino-4-bromopyrazole-1-sulfonamide
SMILESNc1nn(S(N)(=O)=O)cc1Br
InChIInChI=1S/C3H5BrN4O2S/c4-2-1-8(7-3(2)5)11(6,9)10/h1H,(H2,5,7)(H2,6,9,10)
InChIKeyANFFMGLPZHGAKE-UHFFFAOYSA-N
XLogP-0.72
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromopyrazole-1-sulfonamide?
The IUPAC name of 3-amino-4-bromopyrazole-1-sulfonamide (CID 131059441) is 3-amino-4-bromopyrazole-1-sulfonamide.
What is the SMILES notation for 3-amino-4-bromopyrazole-1-sulfonamide?
The canonical SMILES for 3-amino-4-bromopyrazole-1-sulfonamide is Nc1nn(S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-amino-4-bromopyrazole-1-sulfonamide?
The InChIKey is ANFFMGLPZHGAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrN4O2S/c4-2-1-8(7-3(2)5)11(6,9)10/h1H,(H2,5,7)(H2,6,9,10).
What are the key properties of 3-amino-4-bromopyrazole-1-sulfonamide?
3-amino-4-bromopyrazole-1-sulfonamide has a molecular weight of 241.07 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromopyrazole-1-sulfonamide is sourced from PubChem (CID 131059441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).