4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide

C13H11Br2NO2S — CID 65480204

IUPAC4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)c1ccc(CBr)cc1
InChIInChI=1S/C13H11Br2NO2S/c14-9-10-5-7-11(8-6-10)19(17,18)16-13-4-2-1-3-12(13)15/h1-8,16H,9H2
InChIKeyXHYMIBIWEDAVPB-UHFFFAOYSA-N
MW405.11 g/mol
LogP4.14
Rot. Bonds4

About 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide

4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide (PubChem CID 65480204) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
PubChem CID65480204
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Name4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)c1ccc(CBr)cc1
InChIInChI=1S/C13H11Br2NO2S/c14-9-10-5-7-11(8-6-10)19(17,18)16-13-4-2-1-3-12(13)15/h1-8,16H,9H2
InChIKeyXHYMIBIWEDAVPB-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 54.14
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

N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
4-(bromomethyl)-N-(2-nitrophenyl)benzenesulfonamide
CID 65481606
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 65481192
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31578755
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide (CID 65480204) is 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1Br)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide?
The InChIKey is XHYMIBIWEDAVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c14-9-10-5-7-11(8-6-10)19(17,18)16-13-4-2-1-3-12(13)15/h1-8,16H,9H2.
What are the key properties of 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide?
4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide has a molecular weight of 405.11 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide is sourced from PubChem (CID 65480204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).