2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide

C15H15F2NO4S — CID 110758295

IUPAC2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H15F2NO4S/c1-21-12-3-5-13(6-4-12)22-9-8-18-23(19,20)15-7-2-11(16)10-14(15)17/h2-7,10,18H,8-9H2,1H3
InChIKeyDHRAKMLSPXMKFN-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.33
Rot. Bonds7

About 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide

2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide (PubChem CID 110758295) has the molecular formula C15H15F2NO4S and a molecular weight of 343.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
PubChem CID110758295
Molecular FormulaC15H15F2NO4S
Molecular Weight343.35 g/mol
Exact Mass343.07
IUPAC Name2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H15F2NO4S/c1-21-12-3-5-13(6-4-12)22-9-8-18-23(19,20)15-7-2-11(16)10-14(15)17/h2-7,10,18H,8-9H2,1H3
InChIKeyDHRAKMLSPXMKFN-UHFFFAOYSA-N
XLogP2.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.33
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

4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
N-[2-(4-fluorophenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100563271
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide (CID 110758295) is 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide is COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The InChIKey is DHRAKMLSPXMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO4S/c1-21-12-3-5-13(6-4-12)22-9-8-18-23(19,20)15-7-2-11(16)10-14(15)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide has a molecular weight of 343.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 110758295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).