2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide

C9H13Cl2NO2S2 — CID 107650976

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)CCCl
InChIInChI=1S/C9H13Cl2NO2S2/c1-2-12(16(13,14)6-5-10)7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3
InChIKeyCYTSEZXKSDKENG-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.79
Rot. Bonds6

About 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide (PubChem CID 107650976) has the molecular formula C9H13Cl2NO2S2 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
PubChem CID107650976
Molecular FormulaC9H13Cl2NO2S2
Molecular Weight302.25 g/mol
Exact Mass300.98
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)CCCl
InChIInChI=1S/C9H13Cl2NO2S2/c1-2-12(16(13,14)6-5-10)7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3
InChIKeyCYTSEZXKSDKENG-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide 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

1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
CID 62020358
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 9301903
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide
CID 86808037
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 61126736
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
CID 134002462
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
CID 9301914
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957
5-[(5-chlorothiophen-2-yl)methyl-ethylsulfamoyl]furan-2-carboxylic acid
CID 60954031
2-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402190
4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid
CID 54875088
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide (CID 107650976) is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide?
The InChIKey is CYTSEZXKSDKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO2S2/c1-2-12(16(13,14)6-5-10)7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3.
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide?
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide has a molecular weight of 302.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide is sourced from PubChem (CID 107650976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).