4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide

C17H20FNO3S — CID 110446090

IUPAC4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
SMILESCC(C)(C)Oc1ccccc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-17(2,3)22-16-7-5-4-6-13(16)12-19-23(20,21)15-10-8-14(18)9-11-15/h4-11,19H,12H2,1-3H3
InChIKeyAEWILECNARGTMW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.48
Rot. Bonds5

About 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide

4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide (PubChem CID 110446090) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
PubChem CID110446090
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
SMILESCC(C)(C)Oc1ccccc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-17(2,3)22-16-7-5-4-6-13(16)12-19-23(20,21)15-10-8-14(18)9-11-15/h4-11,19H,12H2,1-3H3
InChIKeyAEWILECNARGTMW-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
4-N,4-N-diethyl-1-N-[[2-(trifluoromethoxy)phenyl]methyl]benzene-1,4-disulfonamide
CID 24556290
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
CID 26542292
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
CID 46657919
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862161
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3551979
2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538614

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide (CID 110446090) is 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide is CC(C)(C)Oc1ccccc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide?
The InChIKey is AEWILECNARGTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-17(2,3)22-16-7-5-4-6-13(16)12-19-23(20,21)15-10-8-14(18)9-11-15/h4-11,19H,12H2,1-3H3.
What are the key properties of 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide?
4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 110446090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).