4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C11H12BrN3O2S — CID 113433906

IUPAC4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C11H12BrN3O2S/c1-8-7-13-14-11(8)15-18(16,17)10-4-2-9(6-12)3-5-10/h2-5,7H,6H2,1H3,(H2,13,14,15)
InChIKeyAMEPLRLFKSSOLN-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.41
Rot. Bonds4

About 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 113433906) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID113433906
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C11H12BrN3O2S/c1-8-7-13-14-11(8)15-18(16,17)10-4-2-9(6-12)3-5-10/h2-5,7H,6H2,1H3,(H2,13,14,15)
InChIKeyAMEPLRLFKSSOLN-UHFFFAOYSA-N
XLogP2.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 25041383
5-fluoro-2-methyl-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 75449143
3,4-dimethyl-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 75449144
4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-amine hydrochloride
CID 165993297
4-Tosyl-1H-pyrazol-5-amine
CID 12426301
N-(1H-Pyrazol-5-yl)benzenesulfonamide
CID 21254985
N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide
CID 3690180
N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3698750
N-(4-bromo-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide
CID 3850990
N-(4-bromo-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3853321
N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 4225321
N-(4-cyano-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 5178051

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 113433906) is 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1cn[nH]c1NS(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is AMEPLRLFKSSOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-8-7-13-14-11(8)15-18(16,17)10-4-2-9(6-12)3-5-10/h2-5,7H,6H2,1H3,(H2,13,14,15).
What are the key properties of 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 330.21 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 113433906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).