5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide

C15H14Cl2FNO4S — CID 113103026

IUPAC5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C15H14Cl2FNO4S/c1-22-14-4-2-10(16)8-15(14)24(20,21)19-6-7-23-13-5-3-11(18)9-12(13)17/h2-5,8-9,19H,6-7H2,1H3
InChIKeyKDZUOVFPUNXECH-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.50
Rot. Bonds7

About 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 113103026) has the molecular formula C15H14Cl2FNO4S and a molecular weight of 394.25 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
PubChem CID113103026
Molecular FormulaC15H14Cl2FNO4S
Molecular Weight394.25 g/mol
Exact Mass393.00
IUPAC Name5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C15H14Cl2FNO4S/c1-22-14-4-2-10(16)8-15(14)24(20,21)19-6-7-23-13-5-3-11(18)9-12(13)17/h2-5,8-9,19H,6-7H2,1H3
InChIKeyKDZUOVFPUNXECH-UHFFFAOYSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.50
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-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113102997
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113102991
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101631
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 91624402

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide (CID 113103026) is 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is KDZUOVFPUNXECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO4S/c1-22-14-4-2-10(16)8-15(14)24(20,21)19-6-7-23-13-5-3-11(18)9-12(13)17/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 394.25 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 113103026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).