2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide

C12H19ClN2O3S — CID 83039829

IUPAC2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-10-3-4-12(11(13)9-10)19(16,17)15-6-5-14-7-8-18-2/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyLQPAIIMPYMYAMA-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.16
Rot. Bonds8

About 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide

2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide (PubChem CID 83039829) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
PubChem CID83039829
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-10-3-4-12(11(13)9-10)19(16,17)15-6-5-14-7-8-18-2/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyLQPAIIMPYMYAMA-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.16
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

2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715884
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
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
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide (CID 83039829) is 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide is COCCNCCNS(=O)(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is LQPAIIMPYMYAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-10-3-4-12(11(13)9-10)19(16,17)15-6-5-14-7-8-18-2/h3-4,9,14-15H,5-8H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide?
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 83039829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).