N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C17H20FNO4S — CID 113099220

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCOc1ccccc1F
InChIInChI=1S/C17H20FNO4S/c1-12-10-16(22-3)17(11-13(12)2)24(20,21)19-8-9-23-15-7-5-4-6-14(15)18/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyMBKLOUWLHLBNRA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 113099220) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID113099220
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCOc1ccccc1F
InChIInChI=1S/C17H20FNO4S/c1-12-10-16(22-3)17(11-13(12)2)24(20,21)19-8-9-23-15-7-5-4-6-14(15)18/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyMBKLOUWLHLBNRA-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 113099220) is N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is MBKLOUWLHLBNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-12-10-16(22-3)17(11-13(12)2)24(20,21)19-8-9-23-15-7-5-4-6-14(15)18/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113099220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).