2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide

C11H15Cl3N2O3S — CID 83039704

IUPAC2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2O3S/c1-19-5-4-15-2-3-16-20(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,2-5H2,1H3
InChIKeyAELABDKNVMKJIE-UHFFFAOYSA-N
MW361.68 g/mol
LogP2.16
Rot. Bonds8

About 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide

2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide (PubChem CID 83039704) has the molecular formula C11H15Cl3N2O3S and a molecular weight of 361.68 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
PubChem CID83039704
Molecular FormulaC11H15Cl3N2O3S
Molecular Weight361.68 g/mol
Exact Mass359.99
IUPAC Name2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2O3S/c1-19-5-4-15-2-3-16-20(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,2-5H2,1H3
InChIKeyAELABDKNVMKJIE-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.68
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
CID 114172502
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide
CID 120717656

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide (CID 83039704) is 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide is COCCNCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The InChIKey is AELABDKNVMKJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl3N2O3S/c1-19-5-4-15-2-3-16-20(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,2-5H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide has a molecular weight of 361.68 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 83039704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).