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

C16H15FN2O2S — CID 110664246

IUPACN-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1ccc(C(C#N)NS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2S/c1-12-2-6-14(7-3-12)16(10-18)19-22(20,21)11-13-4-8-15(17)9-5-13/h2-9,16,19H,11H2,1H3
InChIKeyLIRFMIZRDHSUDG-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.82
Rot. Bonds5

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

N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110664246) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110664246
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1ccc(C(C#N)NS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2S/c1-12-2-6-14(7-3-12)16(10-18)19-22(20,21)11-13-4-8-15(17)9-5-13/h2-9,16,19H,11H2,1H3
InChIKeyLIRFMIZRDHSUDG-UHFFFAOYSA-N
XLogP2.82
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 112506666
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
N-[(4-bromophenyl)-cyanomethyl]-4-methylbenzenesulfonamide
CID 53465731
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
CID 3876114
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631
N-[cyano-(4-nitrophenyl)methyl]-4-methylbenzenesulfonamide
CID 44521252

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide (CID 110664246) is N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide is Cc1ccc(C(C#N)NS(=O)(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is LIRFMIZRDHSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-12-2-6-14(7-3-12)16(10-18)19-22(20,21)11-13-4-8-15(17)9-5-13/h2-9,16,19H,11H2,1H3.
What are the key properties of N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 318.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-methylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110664246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).