2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C11H16ClNO4S2 — CID 79858438

IUPAC2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1CCl
InChIInChI=1S/C11H16ClNO4S2/c1-13(7-8-18(2,14)15)19(16,17)11-6-4-3-5-10(11)9-12/h3-6H,7-9H2,1-2H3
InChIKeyRTVFYHDOZNZCOH-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.09
Rot. Bonds6

About 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 79858438) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID79858438
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1CCl
InChIInChI=1S/C11H16ClNO4S2/c1-13(7-8-18(2,14)15)19(16,17)11-6-4-3-5-10(11)9-12/h3-6H,7-9H2,1-2H3
InChIKeyRTVFYHDOZNZCOH-UHFFFAOYSA-N
XLogP1.09
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667071
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
5-(chloromethyl)-N,2,4-trimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79842606
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
2-(chloromethyl)-N-(2-methoxypropyl)-N-methylbenzenesulfonamide
CID 112754693
2-[methyl(2-methylsulfonylethyl)sulfamoyl]benzenecarbothioamide
CID 79858546
2-(chloromethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102998550
2-bromo-5-(chloromethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 114363680
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 81068198

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 79858438) is 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is RTVFYHDOZNZCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-13(7-8-18(2,14)15)19(16,17)11-6-4-3-5-10(11)9-12/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 325.84 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 79858438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).