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

C11H16ClNO2S2 — CID 112667071

IUPAC2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccccc1CCl
InChIInChI=1S/C11H16ClNO2S2/c1-13(7-8-16-2)17(14,15)11-6-4-3-5-10(11)9-12/h3-6H,7-9H2,1-2H3
InChIKeyKFEWUCORXBCREK-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.41
Rot. Bonds6

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

2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 112667071) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID112667071
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccccc1CCl
InChIInChI=1S/C11H16ClNO2S2/c1-13(7-8-16-2)17(14,15)11-6-4-3-5-10(11)9-12/h3-6H,7-9H2,1-2H3
InChIKeyKFEWUCORXBCREK-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79858438
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112661404
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656609
3-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667066
2-(chloromethyl)-N-(2-methoxypropyl)-N-methylbenzenesulfonamide
CID 112754693
2-(2-chloroethyl)-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988176
3-(chloromethyl)-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667033
5-(chloromethyl)-2,3-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 105118487
2-(chloromethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102998550
3-amino-N-methyl-N-(2-methylsulfanylethyl)-2-nitrobenzenesulfonamide
CID 112675350
4-ethyl-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985490

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 112667071) is 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCN(C)S(=O)(=O)c1ccccc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is KFEWUCORXBCREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-13(7-8-16-2)17(14,15)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-methylsulfanylethyl)benzenesulfonamide?
2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 293.84 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 112667071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).