2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide

C17H20FNO6S — CID 110299951

IUPAC2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCOc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C17H20FNO6S/c1-22-15-10-13(11-16(23-2)17(15)24-3)19-26(20,21)9-8-25-14-6-4-12(18)5-7-14/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyWSJZZXAMGCZTQC-UHFFFAOYSA-N
MW385.41 g/mol
LogP2.67
Rot. Bonds9

About 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide

2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide (PubChem CID 110299951) has the molecular formula C17H20FNO6S and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
PubChem CID110299951
Molecular FormulaC17H20FNO6S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCOc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C17H20FNO6S/c1-22-15-10-13(11-16(23-2)17(15)24-3)19-26(20,21)9-8-25-14-6-4-12(18)5-7-14/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyWSJZZXAMGCZTQC-UHFFFAOYSA-N
XLogP2.67
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
4-amino-N-(3,4,5-trimethoxyphenyl)butane-1-sulfonamide
CID 61456060
dimethyl 2-[2-(4-fluorophenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
CID 90518567
4-[2-(4-fluorophenoxy)ethylsulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 90518562
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110618586

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide (CID 110299951) is 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide is COc1cc(NS(=O)(=O)CCOc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide?
The InChIKey is WSJZZXAMGCZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO6S/c1-22-15-10-13(11-16(23-2)17(15)24-3)19-26(20,21)9-8-25-14-6-4-12(18)5-7-14/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide?
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110299951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).