N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide

C20H24FNO4S — CID 118527384

IUPACN-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCOc2ccc(F)cc2)C2CCOCC2)cc1
InChIInChI=1S/C20H24FNO4S/c1-16-2-8-20(9-3-16)27(23,24)22(18-10-13-25-14-11-18)12-15-26-19-6-4-17(21)5-7-19/h2-9,18H,10-15H2,1H3
InChIKeyIBTICHZYVYBLMA-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide

N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 118527384) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID118527384
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCOc2ccc(F)cc2)C2CCOCC2)cc1
InChIInChI=1S/C20H24FNO4S/c1-16-2-8-20(9-3-16)27(23,24)22(18-10-13-25-14-11-18)12-15-26-19-6-4-17(21)5-7-19/h2-9,18H,10-15H2,1H3
InChIKeyIBTICHZYVYBLMA-UHFFFAOYSA-N
XLogP3.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 118527384) is N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCOc2ccc(F)cc2)C2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is IBTICHZYVYBLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-16-2-8-20(9-3-16)27(23,24)22(18-10-13-25-14-11-18)12-15-26-19-6-4-17(21)5-7-19/h2-9,18H,10-15H2,1H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 393.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 118527384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).