N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide

C9H12FNO3S — CID 110780215

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(F)cc1CNS(C)(=O)=O
InChIInChI=1S/C9H12FNO3S/c1-14-9-4-3-8(10)5-7(9)6-11-15(2,12)13/h3-5,11H,6H2,1-2H3
InChIKeyGHYKNSDNGYNECJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.88
Rot. Bonds4

About N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide

N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 110780215) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide
PubChem CID110780215
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(F)cc1CNS(C)(=O)=O
InChIInChI=1S/C9H12FNO3S/c1-14-9-4-3-8(10)5-7(9)6-11-15(2,12)13/h3-5,11H,6H2,1-2H3
InChIKeyGHYKNSDNGYNECJ-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene
CID 110780219
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide (CID 110780215) is N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide is COc1ccc(F)cc1CNS(C)(=O)=O.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is GHYKNSDNGYNECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-14-9-4-3-8(10)5-7(9)6-11-15(2,12)13/h3-5,11H,6H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide?
N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 233.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 110780215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).