1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide

C15H17FN2O2S — CID 110170599

IUPAC1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-17-21(19,20)11-13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9,17-18H,10-11H2,1H3
InChIKeyKFAHCFYTLWEKCJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.49
Rot. Bonds6

About 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide

1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide (PubChem CID 110170599) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
PubChem CID110170599
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-17-21(19,20)11-13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9,17-18H,10-11H2,1H3
InChIKeyKFAHCFYTLWEKCJ-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-chlorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170601
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
[4-[(4-fluorophenyl)methylamino]phenyl]boronic acid
CID 165354988
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide (CID 110170599) is 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is KFAHCFYTLWEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-17-21(19,20)11-13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9,17-18H,10-11H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide?
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 110170599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).