1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide

C15H22FNO5S — CID 166271981

IUPAC1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CC2COCC(C)(C)O2)c(F)c1
InChIInChI=1S/C15H22FNO5S/c1-15(2)10-21-8-13(22-15)9-23(18,19)17-7-11-4-5-12(20-3)6-14(11)16/h4-6,13,17H,7-10H2,1-3H3
InChIKeyFIUGLPZSYZFORQ-UHFFFAOYSA-N
MW347.41 g/mol
LogP1.45
Rot. Bonds6

About 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide

1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 166271981) has the molecular formula C15H22FNO5S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID166271981
Molecular FormulaC15H22FNO5S
Molecular Weight347.41 g/mol
Exact Mass347.12
IUPAC Name1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CC2COCC(C)(C)O2)c(F)c1
InChIInChI=1S/C15H22FNO5S/c1-15(2)10-21-8-13(22-15)9-23(18,19)17-7-11-4-5-12(20-3)6-14(11)16/h4-6,13,17H,7-10H2,1-3H3
InChIKeyFIUGLPZSYZFORQ-UHFFFAOYSA-N
XLogP1.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide
CID 166242943
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103816354
2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
CID 102876635
1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid
CID 102877515
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
1-(1,1-dioxothiolan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876520
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide (CID 166271981) is 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide is COc1ccc(CNS(=O)(=O)CC2COCC(C)(C)O2)c(F)c1.
What is the InChIKey of 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is FIUGLPZSYZFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO5S/c1-15(2)10-21-8-13(22-15)9-23(18,19)17-7-11-4-5-12(20-3)6-14(11)16/h4-6,13,17H,7-10H2,1-3H3.
What are the key properties of 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide?
1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 347.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 166271981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).