4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide

C13H9Br4NO2S — CID 65481192

IUPAC4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Br)cc(Br)cc1Br)c1ccc(CBr)cc1
InChIInChI=1S/C13H9Br4NO2S/c14-7-8-1-3-10(4-2-8)21(19,20)18-13-11(16)5-9(15)6-12(13)17/h1-6,18H,7H2
InChIKeyRJBGTRDPLFUIOW-UHFFFAOYSA-N
MW562.90 g/mol
LogP5.67
Rot. Bonds4

About 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide

4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide (PubChem CID 65481192) has the molecular formula C13H9Br4NO2S and a molecular weight of 562.90 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
PubChem CID65481192
Molecular FormulaC13H9Br4NO2S
Molecular Weight562.90 g/mol
Exact Mass558.71
IUPAC Name4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Br)cc(Br)cc1Br)c1ccc(CBr)cc1
InChIInChI=1S/C13H9Br4NO2S/c14-7-8-1-3-10(4-2-8)21(19,20)18-13-11(16)5-9(15)6-12(13)17/h1-6,18H,7H2
InChIKeyRJBGTRDPLFUIOW-UHFFFAOYSA-N
XLogP5.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.90
LogP ≤ 55.67
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
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
CID 43550498
4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
CID 65480204
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
4-(bromomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 65482623
N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide (CID 65481192) is 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide is O=S(=O)(Nc1c(Br)cc(Br)cc1Br)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The InChIKey is RJBGTRDPLFUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br4NO2S/c14-7-8-1-3-10(4-2-8)21(19,20)18-13-11(16)5-9(15)6-12(13)17/h1-6,18H,7H2.
What are the key properties of 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide?
4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide has a molecular weight of 562.90 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide is sourced from PubChem (CID 65481192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).