N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide

C11H12BrN3O2S — CID 83092889

IUPACN-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
SMILESO=S(=O)(CBr)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C11H12BrN3O2S/c12-9-18(16,17)14-11-6-13-15(8-11)7-10-4-2-1-3-5-10/h1-6,8,14H,7,9H2
InChIKeyUIVZNHFDDOXFCG-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.03
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide

N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide (PubChem CID 83092889) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
PubChem CID83092889
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
SMILESO=S(=O)(CBr)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C11H12BrN3O2S/c12-9-18(16,17)14-11-6-13-15(8-11)7-10-4-2-1-3-5-10/h1-6,8,14H,7,9H2
InChIKeyUIVZNHFDDOXFCG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
CID 113227843
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
CID 22201754
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1-phenylmethanesulfonamide
CID 3863910
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 167971932
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide (CID 83092889) is N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide is O=S(=O)(CBr)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide?
The InChIKey is UIVZNHFDDOXFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c12-9-18(16,17)14-11-6-13-15(8-11)7-10-4-2-1-3-5-10/h1-6,8,14H,7,9H2.
What are the key properties of N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide?
N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide has a molecular weight of 330.21 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide is sourced from PubChem (CID 83092889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).