3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide

C11H16Cl2N2O3S — CID 83039490

IUPAC3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H16Cl2N2O3S/c1-18-5-4-14-2-3-15-19(16,17)11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3
InChIKeyAMNMUQNJHGHZQW-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.51
Rot. Bonds8

About 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide

3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide (PubChem CID 83039490) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
PubChem CID83039490
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H16Cl2N2O3S/c1-18-5-4-14-2-3-15-19(16,17)11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3
InChIKeyAMNMUQNJHGHZQW-UHFFFAOYSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.51
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

2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
4-chloro-3-cyano-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 120717619
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
3-N-[2-(2-methoxyethylamino)ethyl]benzene-1,3-disulfonamide
CID 83036725
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
CID 3874327
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide (CID 83039490) is 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide is COCCNCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The InChIKey is AMNMUQNJHGHZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O3S/c1-18-5-4-14-2-3-15-19(16,17)11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3.
What are the key properties of 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide has a molecular weight of 327.23 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 83039490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).