4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C14H16ClNO2S2 — CID 79494682

IUPAC4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1ccc(CCl)cc1
InChIInChI=1S/C14H16ClNO2S2/c1-16(9-8-13-3-2-10-19-13)20(17,18)14-6-4-12(11-15)5-7-14/h2-7,10H,8-9,11H2,1H3
InChIKeyKUNYYHGVVFNROP-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.35
Rot. Bonds6

About 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 79494682) has the molecular formula C14H16ClNO2S2 and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID79494682
Molecular FormulaC14H16ClNO2S2
Molecular Weight329.87 g/mol
Exact Mass329.03
IUPAC Name4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1ccc(CCl)cc1
InChIInChI=1S/C14H16ClNO2S2/c1-16(9-8-13-3-2-10-19-13)20(17,18)14-6-4-12(11-15)5-7-14/h2-7,10H,8-9,11H2,1H3
InChIKeyKUNYYHGVVFNROP-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)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

4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
3-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79488125
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733501
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
CID 167806334
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
4-(chloromethyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102704190

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 79494682) is 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CN(CCc1cccs1)S(=O)(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is KUNYYHGVVFNROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S2/c1-16(9-8-13-3-2-10-19-13)20(17,18)14-6-4-12(11-15)5-7-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 329.87 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 79494682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).