N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide

C15H16FNO2S — CID 30400180

IUPACN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S/c1-12-2-4-14(5-3-12)11-20(18,19)17-10-13-6-8-15(16)9-7-13/h2-9,17H,10-11H2,1H3
InChIKeyQHCILGYNOYYBOG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.75
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide

N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 30400180) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID30400180
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S/c1-12-2-4-14(5-3-12)11-20(18,19)17-10-13-6-8-15(16)9-7-13/h2-9,17H,10-11H2,1H3
InChIKeyQHCILGYNOYYBOG-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
CID 110784907
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
N-[(4-fluorophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 51108789
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110427813
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110730616
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110664246
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide (CID 30400180) is N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is QHCILGYNOYYBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-12-2-4-14(5-3-12)11-20(18,19)17-10-13-6-8-15(16)9-7-13/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 30400180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).