3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide

C15H15Cl2NO4S — CID 5018847

IUPAC3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2NO4S/c1-21-13-2-4-14(5-3-13)22-7-6-18-23(19,20)15-9-11(16)8-12(17)10-15/h2-5,8-10,18H,6-7H2,1H3
InChIKeyOEDVYVZTFKGYCX-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.36
Rot. Bonds7

About 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide

3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide (PubChem CID 5018847) has the molecular formula C15H15Cl2NO4S and a molecular weight of 376.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
PubChem CID5018847
Molecular FormulaC15H15Cl2NO4S
Molecular Weight376.26 g/mol
Exact Mass375.01
IUPAC Name3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2NO4S/c1-21-13-2-4-14(5-3-13)22-7-6-18-23(19,20)15-9-11(16)8-12(17)10-15/h2-5,8-10,18H,6-7H2,1H3
InChIKeyOEDVYVZTFKGYCX-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102633
N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
CID 113099755
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113099676
N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzenesulfonamide
CID 2900733
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 110758295
N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine
CID 110415082
4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113102776
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide (CID 5018847) is 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide is COc1ccc(OCCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The InChIKey is OEDVYVZTFKGYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4S/c1-21-13-2-4-14(5-3-13)22-7-6-18-23(19,20)15-9-11(16)8-12(17)10-15/h2-5,8-10,18H,6-7H2,1H3.
What are the key properties of 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide has a molecular weight of 376.26 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 5018847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).