2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide

C16H18FNO3S — CID 39636523

IUPAC2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide
SMILESCOCc1ccccc1CNS(=O)(=O)c1cc(C)ccc1F
InChIInChI=1S/C16H18FNO3S/c1-12-7-8-15(17)16(9-12)22(19,20)18-10-13-5-3-4-6-14(13)11-21-2/h3-9,18H,10-11H2,1-2H3
InChIKeyZALPXXOJYVGJRN-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.76
Rot. Bonds6

About 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide

2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide (PubChem CID 39636523) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide
PubChem CID39636523
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide
SMILESCOCc1ccccc1CNS(=O)(=O)c1cc(C)ccc1F
InChIInChI=1S/C16H18FNO3S/c1-12-7-8-15(17)16(9-12)22(19,20)18-10-13-5-3-4-6-14(13)11-21-2/h3-9,18H,10-11H2,1-2H3
InChIKeyZALPXXOJYVGJRN-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-(methoxymethyl)phenyl]-5-methylbenzamide
CID 62511821
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 79524389
methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878696
1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168147
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 166198120
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylbenzenesulfonamide
CID 115362967
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 39624112
5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 154741050
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide (CID 39636523) is 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide is COCc1ccccc1CNS(=O)(=O)c1cc(C)ccc1F.
What is the InChIKey of 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide?
The InChIKey is ZALPXXOJYVGJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12-7-8-15(17)16(9-12)22(19,20)18-10-13-5-3-4-6-14(13)11-21-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide?
2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 39636523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).