3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide

C18H22FNO4S — CID 16884367

IUPAC3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)CCCOc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO4S/c1-23-18-5-2-4-15(14-18)10-11-20-25(21,22)13-3-12-24-17-8-6-16(19)7-9-17/h2,4-9,14,20H,3,10-13H2,1H3
InChIKeyWULJGKXAVZZNBL-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.77
Rot. Bonds10

About 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide

3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide (PubChem CID 16884367) has the molecular formula C18H22FNO4S and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
PubChem CID16884367
Molecular FormulaC18H22FNO4S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC Name3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)CCCOc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO4S/c1-23-18-5-2-4-15(14-18)10-11-20-25(21,22)13-3-12-24-17-8-6-16(19)7-9-17/h2,4-9,14,20H,3,10-13H2,1H3
InChIKeyWULJGKXAVZZNBL-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.77
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

O-(m-methoxy)benzyl-tyramine
CID 11702057
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-fluoro-benzenesulfonamide
CID 646521
N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide
CID 896384
N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 2980747
N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 841713
2,2,2-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]ethanesulfonamide
CID 59192689
2-(3-(3-Phenylpropoxy)phenyl)ethan-1-amine
CID 22685049
N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide
CID 2317140
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluorobenzenesulfonamide
CID 852180
2-[3-(Cyclohexylmethoxy)-4-fluorophenyl]ethanamine
CID 172466669
3-[3-(Cyclohexylmethoxy)-4-fluorophenyl]-2-methylpropan-1-amine
CID 172470252
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]propane-1-sulfonamide
CID 66635092

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide (CID 16884367) is 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide is COc1cccc(CCNS(=O)(=O)CCCOc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is WULJGKXAVZZNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4S/c1-23-18-5-2-4-15(14-18)10-11-20-25(21,22)13-3-12-24-17-8-6-16(19)7-9-17/h2,4-9,14,20H,3,10-13H2,1H3.
What are the key properties of 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide?
3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 367.44 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 16884367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).