4-(bromomethyl)-3-chlorobenzenesulfonamide

C7H7BrClNO2S — CID 18629015

IUPAC4-(bromomethyl)-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CBr)c(Cl)c1
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-1-2-6(3-7(5)9)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyPZWWDTGPQWKAEQ-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.88
Rot. Bonds2

About 4-(bromomethyl)-3-chlorobenzenesulfonamide

4-(bromomethyl)-3-chlorobenzenesulfonamide (PubChem CID 18629015) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 4-(bromomethyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-3-chlorobenzenesulfonamide
PubChem CID18629015
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name4-(bromomethyl)-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CBr)c(Cl)c1
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-1-2-6(3-7(5)9)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyPZWWDTGPQWKAEQ-UHFFFAOYSA-N
XLogP1.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-3-chlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-chlorobenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-3-chlorobenzenesulfonamide (CID 18629015) is 4-(bromomethyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-3-chlorobenzenesulfonamide is NS(=O)(=O)c1ccc(CBr)c(Cl)c1.
What is the InChIKey of 4-(bromomethyl)-3-chlorobenzenesulfonamide?
The InChIKey is PZWWDTGPQWKAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-4-5-1-2-6(3-7(5)9)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 4-(bromomethyl)-3-chlorobenzenesulfonamide?
4-(bromomethyl)-3-chlorobenzenesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 18629015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).