5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide

C9H11Cl2NO2S — CID 82884442

IUPAC5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)cc(CCl)c1C
InChIInChI=1S/C9H11Cl2NO2S/c1-6-7(5-10)3-8(11)4-9(6)15(13,14)12-2/h3-4,12H,5H2,1-2H3
InChIKeyXSEDTCBEDZMAHT-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.30
Rot. Bonds3

About 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide

5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 82884442) has the molecular formula C9H11Cl2NO2S and a molecular weight of 268.17 g/mol. Its IUPAC name is 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide
PubChem CID82884442
Molecular FormulaC9H11Cl2NO2S
Molecular Weight268.17 g/mol
Exact Mass266.99
IUPAC Name5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)cc(CCl)c1C
InChIInChI=1S/C9H11Cl2NO2S/c1-6-7(5-10)3-8(11)4-9(6)15(13,14)12-2/h3-4,12H,5H2,1-2H3
InChIKeyXSEDTCBEDZMAHT-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.30
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-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide (CID 82884442) is 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(Cl)cc(CCl)c1C.
What is the InChIKey of 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is XSEDTCBEDZMAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2S/c1-6-7(5-10)3-8(11)4-9(6)15(13,14)12-2/h3-4,12H,5H2,1-2H3.
What are the key properties of 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide?
5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 268.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(chloromethyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 82884442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).