4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide

C14H14BrNO2S — CID 65481186

IUPAC4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h2-9,16H,10H2,1H3
InChIKeyQJIBCKREXYBZHM-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.69
Rot. Bonds4

About 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide

4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 65481186) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID65481186
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h2-9,16H,10H2,1H3
InChIKeyQJIBCKREXYBZHM-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-(bromomethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 65481784
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide (CID 65481186) is 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is QJIBCKREXYBZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h2-9,16H,10H2,1H3.
What are the key properties of 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide?
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 65481186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).