N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide

C15H16FNO3S — CID 24719659

IUPACN-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C15H16FNO3S/c1-20-14-8-5-7-13(10-14)17(21(2,18)19)11-12-6-3-4-9-15(12)16/h3-10H,11H2,1-2H3
InChIKeyUQSKOAQCVJRWIJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.80
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide

N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide (PubChem CID 24719659) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide
PubChem CID24719659
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C15H16FNO3S/c1-20-14-8-5-7-13(10-14)17(21(2,18)19)11-12-6-3-4-9-15(12)16/h3-10H,11H2,1-2H3
InChIKeyUQSKOAQCVJRWIJ-UHFFFAOYSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide (CID 24719659) is N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide is COc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is UQSKOAQCVJRWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-14-8-5-7-13(10-14)17(21(2,18)19)11-12-6-3-4-9-15(12)16/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide?
N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 24719659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).