5-(bromomethyl)-2-chlorobenzenesulfonamide

C7H7BrClNO2S — CID 18374393

IUPAC5-(bromomethyl)-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(CBr)ccc1Cl
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-1-2-6(9)7(3-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyNMUIUYYKRJLJIS-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.88
Rot. Bonds2

About 5-(bromomethyl)-2-chlorobenzenesulfonamide

5-(bromomethyl)-2-chlorobenzenesulfonamide (PubChem CID 18374393) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 5-(bromomethyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-(bromomethyl)-2-chlorobenzenesulfonamide
PubChem CID18374393
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name5-(bromomethyl)-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(CBr)ccc1Cl
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-1-2-6(9)7(3-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyNMUIUYYKRJLJIS-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 5-(bromomethyl)-2-chlorobenzenesulfonamide (CID 18374393) is 5-(bromomethyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 5-(bromomethyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 5-(bromomethyl)-2-chlorobenzenesulfonamide is NS(=O)(=O)c1cc(CBr)ccc1Cl.
What is the InChIKey of 5-(bromomethyl)-2-chlorobenzenesulfonamide?
The InChIKey is NMUIUYYKRJLJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-4-5-1-2-6(9)7(3-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 5-(bromomethyl)-2-chlorobenzenesulfonamide?
5-(bromomethyl)-2-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 5-(bromomethyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 18374393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).