N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide

C9H12FNO2S — CID 60681387

IUPACN-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C9H12FNO2S/c1-11(14(2,12)13)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyLWXAYFKKIYFDCA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.22
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide

N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 60681387) has the molecular formula C9H12FNO2S and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
PubChem CID60681387
Molecular FormulaC9H12FNO2S
Molecular Weight217.27 g/mol
Exact Mass217.06
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C9H12FNO2S/c1-11(14(2,12)13)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyLWXAYFKKIYFDCA-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide (CID 60681387) is N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide is CN(Cc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is LWXAYFKKIYFDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-11(14(2,12)13)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide?
N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 217.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 60681387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).