1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide

C20H21FN2O3S — CID 86839207

IUPAC1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCC2(c3cccc(F)c3)CCOCC2)c1
InChIInChI=1S/C20H21FN2O3S/c21-19-6-2-5-18(12-19)20(7-9-26-10-8-20)15-23-27(24,25)14-17-4-1-3-16(11-17)13-22/h1-6,11-12,23H,7-10,14-15H2
InChIKeyWUJYHDQWBNOOLR-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.87
Rot. Bonds6

About 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide

1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide (PubChem CID 86839207) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide
PubChem CID86839207
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCC2(c3cccc(F)c3)CCOCC2)c1
InChIInChI=1S/C20H21FN2O3S/c21-19-6-2-5-18(12-19)20(7-9-26-10-8-20)15-23-27(24,25)14-17-4-1-3-16(11-17)13-22/h1-6,11-12,23H,7-10,14-15H2
InChIKeyWUJYHDQWBNOOLR-UHFFFAOYSA-N
XLogP2.87
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]benzonitrile
CID 47627698
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
CID 86839214
3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 86954115
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 27450599
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
5-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzenesulfonamide
CID 86879570
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methyl-4-nitrobenzenesulfonamide
CID 86959754
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide
CID 78862275
1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide
CID 154741090
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide (CID 86839207) is 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide is N#Cc1cccc(CS(=O)(=O)NCC2(c3cccc(F)c3)CCOCC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide?
The InChIKey is WUJYHDQWBNOOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-19-6-2-5-18(12-19)20(7-9-26-10-8-20)15-23-27(24,25)14-17-4-1-3-16(11-17)13-22/h1-6,11-12,23H,7-10,14-15H2.
What are the key properties of 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide?
1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide has a molecular weight of 388.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 86839207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).