5-(bromomethyl)-2,4-dichlorobenzenesulfonamide

C7H6BrCl2NO2S — CID 18374447

IUPAC5-(bromomethyl)-2,4-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(CBr)c(Cl)cc1Cl
InChIInChI=1S/C7H6BrCl2NO2S/c8-3-4-1-7(14(11,12)13)6(10)2-5(4)9/h1-2H,3H2,(H2,11,12,13)
InChIKeyIEZXPCVIEBECSB-UHFFFAOYSA-N
MW319.01 g/mol
LogP2.54
Rot. Bonds2

About 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide

5-(bromomethyl)-2,4-dichlorobenzenesulfonamide (PubChem CID 18374447) has the molecular formula C7H6BrCl2NO2S and a molecular weight of 319.01 g/mol. Its IUPAC name is 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name5-(bromomethyl)-2,4-dichlorobenzenesulfonamide
PubChem CID18374447
Molecular FormulaC7H6BrCl2NO2S
Molecular Weight319.01 g/mol
Exact Mass316.87
IUPAC Name5-(bromomethyl)-2,4-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(CBr)c(Cl)cc1Cl
InChIInChI=1S/C7H6BrCl2NO2S/c8-3-4-1-7(14(11,12)13)6(10)2-5(4)9/h1-2H,3H2,(H2,11,12,13)
InChIKeyIEZXPCVIEBECSB-UHFFFAOYSA-N
XLogP2.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.01
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide?
The IUPAC name of 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide (CID 18374447) is 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide is NS(=O)(=O)c1cc(CBr)c(Cl)cc1Cl.
What is the InChIKey of 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide?
The InChIKey is IEZXPCVIEBECSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2NO2S/c8-3-4-1-7(14(11,12)13)6(10)2-5(4)9/h1-2H,3H2,(H2,11,12,13).
What are the key properties of 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide?
5-(bromomethyl)-2,4-dichlorobenzenesulfonamide has a molecular weight of 319.01 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 18374447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).