N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide

C27H24FNO2S — CID 122374962

IUPACN-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C/C(F)=C/c2ccc3ccccc3c2)Cc2ccccc2)cc1
InChIInChI=1S/C27H24FNO2S/c1-21-11-15-27(16-12-21)32(30,31)29(19-22-7-3-2-4-8-22)20-26(28)18-23-13-14-24-9-5-6-10-25(24)17-23/h2-18H,19-20H2,1H3/b26-18-
InChIKeyAUPVIFLUKAHHCJ-ITYLOYPMSA-N
MW445.56 g/mol
LogP6.35
Rot. Bonds7

About N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide

N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 122374962) has the molecular formula C27H24FNO2S and a molecular weight of 445.56 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID122374962
Molecular FormulaC27H24FNO2S
Molecular Weight445.56 g/mol
Exact Mass445.15
IUPAC NameN-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C/C(F)=C/c2ccc3ccccc3c2)Cc2ccccc2)cc1
InChIInChI=1S/C27H24FNO2S/c1-21-11-15-27(16-12-21)32(30,31)29(19-22-7-3-2-4-8-22)20-26(28)18-23-13-14-24-9-5-6-10-25(24)17-23/h2-18H,19-20H2,1H3/b26-18-
InChIKeyAUPVIFLUKAHHCJ-ITYLOYPMSA-N
XLogP6.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide (CID 122374962) is N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C/C(F)=C/c2ccc3ccccc3c2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is AUPVIFLUKAHHCJ-ITYLOYPMSA-N. The full InChI is InChI=1S/C27H24FNO2S/c1-21-11-15-27(16-12-21)32(30,31)29(19-22-7-3-2-4-8-22)20-26(28)18-23-13-14-24-9-5-6-10-25(24)17-23/h2-18H,19-20H2,1H3/b26-18-.
What are the key properties of N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide?
N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 445.56 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122374962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).