N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide

C22H22FNO2S — CID 154715531

IUPACN-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(Cc2cccc(F)c2)c2ccccc2)cc1
InChIInChI=1S/C22H22FNO2S/c1-17-10-12-22(13-11-17)27(25,26)24-16-20(19-7-3-2-4-8-19)14-18-6-5-9-21(23)15-18/h2-13,15,20,24H,14,16H2,1H3
InChIKeyGROKGKFARFSORS-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.44
Rot. Bonds7

About N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide

N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 154715531) has the molecular formula C22H22FNO2S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID154715531
Molecular FormulaC22H22FNO2S
Molecular Weight383.49 g/mol
Exact Mass383.14
IUPAC NameN-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(Cc2cccc(F)c2)c2ccccc2)cc1
InChIInChI=1S/C22H22FNO2S/c1-17-10-12-22(13-11-17)27(25,26)24-16-20(19-7-3-2-4-8-19)14-18-6-5-9-21(23)15-18/h2-13,15,20,24H,14,16H2,1H3
InChIKeyGROKGKFARFSORS-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
LY 392098
CID 9927707
4-{2-[(Phenylsulfonyl)amino]ethyl}benzenesulfonamide
CID 2217668
2,4,6-Trimethyl-N-phenethyl-1-benzenesulfonamide
CID 3109779
[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889893
3-methyl-N-phenethylbenzenesulfonamide
CID 890664
Cyclopentyl{[4-(methylethyl)phenyl]sulfonyl}amine
CID 6469335
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine
CID 6612782
Aromatic/heteroaromatic sulfonamide 35
CID 11553012
2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3715583
[2-(3-Fluorophenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479858

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide (CID 154715531) is N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(Cc2cccc(F)c2)c2ccccc2)cc1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is GROKGKFARFSORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2S/c1-17-10-12-22(13-11-17)27(25,26)24-16-20(19-7-3-2-4-8-19)14-18-6-5-9-21(23)15-18/h2-13,15,20,24H,14,16H2,1H3.
What are the key properties of N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide?
N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 154715531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).