3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C11H12BrN3O2S — CID 54951763

IUPAC3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1cccn1)c1cccc(Br)c1
InChIInChI=1S/C11H12BrN3O2S/c12-10-3-1-4-11(9-10)18(16,17)14-6-8-15-7-2-5-13-15/h1-5,7,9,14H,6,8H2
InChIKeyJVRWXGMTYJHULD-UHFFFAOYSA-N
MW330.21 g/mol
LogP1.62
Rot. Bonds5

About 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 54951763) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID54951763
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1cccn1)c1cccc(Br)c1
InChIInChI=1S/C11H12BrN3O2S/c12-10-3-1-4-11(9-10)18(16,17)14-6-8-15-7-2-5-13-15/h1-5,7,9,14H,6,8H2
InChIKeyJVRWXGMTYJHULD-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461304
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206357
2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463014
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61461227

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 54951763) is 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCn1cccn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is JVRWXGMTYJHULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c12-10-3-1-4-11(9-10)18(16,17)14-6-8-15-7-2-5-13-15/h1-5,7,9,14H,6,8H2.
What are the key properties of 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 330.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 54951763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).