3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide

C20H18FNO5S — CID 24621918

IUPAC3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide
SMILESCOc1ccc(Oc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC)cc1
InChIInChI=1S/C20H18FNO5S/c1-25-16-7-9-17(10-8-16)27-20-13-15(6-11-19(20)26-2)22-28(23,24)18-5-3-4-14(21)12-18/h3-13,22H,1-2H3
InChIKeyJLUPZHXWRPSDHC-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.44
Rot. Bonds7

About 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide

3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide (PubChem CID 24621918) has the molecular formula C20H18FNO5S and a molecular weight of 403.43 g/mol. Its IUPAC name is 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide
PubChem CID24621918
Molecular FormulaC20H18FNO5S
Molecular Weight403.43 g/mol
Exact Mass403.09
IUPAC Name3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide
SMILESCOc1ccc(Oc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC)cc1
InChIInChI=1S/C20H18FNO5S/c1-25-16-7-9-17(10-8-16)27-20-13-15(6-11-19(20)26-2)22-28(23,24)18-5-3-4-14(21)12-18/h3-13,22H,1-2H3
InChIKeyJLUPZHXWRPSDHC-UHFFFAOYSA-N
XLogP4.44
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
3-fluoro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478724
N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide
CID 26949915
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
3-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzenesulfonamide
CID 3865441
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide
CID 11213244

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide (CID 24621918) is 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide is COc1ccc(Oc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC)cc1.
What is the InChIKey of 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide?
The InChIKey is JLUPZHXWRPSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5S/c1-25-16-7-9-17(10-8-16)27-20-13-15(6-11-19(20)26-2)22-28(23,24)18-5-3-4-14(21)12-18/h3-13,22H,1-2H3.
What are the key properties of 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide?
3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide has a molecular weight of 403.43 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 24621918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).