2-(dichloromethyl)benzenesulfonamide

C7H7Cl2NO2S — CID 13364615

IUPAC2-(dichloromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(Cl)Cl
InChIInChI=1S/C7H7Cl2NO2S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKeyKZIQMTDWJPTVHC-UHFFFAOYSA-N
MW240.11 g/mol
LogP1.81
Rot. Bonds2

About 2-(dichloromethyl)benzenesulfonamide

2-(dichloromethyl)benzenesulfonamide (PubChem CID 13364615) has the molecular formula C7H7Cl2NO2S and a molecular weight of 240.11 g/mol. Its IUPAC name is 2-(dichloromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(dichloromethyl)benzenesulfonamide
PubChem CID13364615
Molecular FormulaC7H7Cl2NO2S
Molecular Weight240.11 g/mol
Exact Mass238.96
IUPAC Name2-(dichloromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(Cl)Cl
InChIInChI=1S/C7H7Cl2NO2S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKeyKZIQMTDWJPTVHC-UHFFFAOYSA-N
XLogP1.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 51.81
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

2-(3-chloropentan-2-yl)benzenesulfonamide
CID 63562150
2-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 167679845
2-sulfanylbenzenesulfonamide
CID 11041532
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
2-(3-oxopentan-2-yl)benzenesulfonamide
CID 63549984
2-(1-nitroprop-2-ynyl)benzenesulfonamide
CID 170601626
2-methylbenzenesulfonamide
CID 6924
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
2-chloro-3-sulfanylbenzenesulfonamide
CID 168966087
2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
CID 6186872
methyl 3,4-dihydroxy-4-(2-sulfamoylphenyl)butanoate
CID 171896022

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)benzenesulfonamide?
The IUPAC name of 2-(dichloromethyl)benzenesulfonamide (CID 13364615) is 2-(dichloromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(dichloromethyl)benzenesulfonamide?
The canonical SMILES for 2-(dichloromethyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1C(Cl)Cl.
What is the InChIKey of 2-(dichloromethyl)benzenesulfonamide?
The InChIKey is KZIQMTDWJPTVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4,7H,(H2,10,11,12).
What are the key properties of 2-(dichloromethyl)benzenesulfonamide?
2-(dichloromethyl)benzenesulfonamide has a molecular weight of 240.11 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)benzenesulfonamide is sourced from PubChem (CID 13364615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).