4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide

C12H19ClN2O4S — CID 83039819

IUPAC4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C12H19ClN2O4S/c1-18-8-7-14-5-6-15-20(16,17)12-4-3-10(13)9-11(12)19-2/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyPTDKTCBMUFDCNB-UHFFFAOYSA-N
MW322.81 g/mol
LogP0.86
Rot. Bonds9

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

4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide (PubChem CID 83039819) has the molecular formula C12H19ClN2O4S and a molecular weight of 322.81 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
PubChem CID83039819
Molecular FormulaC12H19ClN2O4S
Molecular Weight322.81 g/mol
Exact Mass322.08
IUPAC Name4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C12H19ClN2O4S/c1-18-8-7-14-5-6-15-20(16,17)12-4-3-10(13)9-11(12)19-2/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyPTDKTCBMUFDCNB-UHFFFAOYSA-N
XLogP0.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide
CID 120717656
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide (CID 83039819) is 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide is COCCNCCNS(=O)(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The InChIKey is PTDKTCBMUFDCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O4S/c1-18-8-7-14-5-6-15-20(16,17)12-4-3-10(13)9-11(12)19-2/h3-4,9,14-15H,5-8H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide has a molecular weight of 322.81 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 83039819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).