N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide

C22H23FN2O2S — CID 4794386

IUPACN-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(NCc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H23FN2O2S/c1-17-7-13-21(14-8-17)28(26,27)25-16-22(19-5-3-2-4-6-19)24-15-18-9-11-20(23)12-10-18/h2-14,22,24-25H,15-16H2,1H3
InChIKeyXESQXNBOZHPWKO-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide

N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 4794386) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID4794386
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC NameN-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(NCc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H23FN2O2S/c1-17-7-13-21(14-8-17)28(26,27)25-16-22(19-5-3-2-4-6-19)24-15-18-9-11-20(23)12-10-18/h2-14,22,24-25H,15-16H2,1H3
InChIKeyXESQXNBOZHPWKO-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171281
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine
CID 6612782
2-(4-Fluorophenyl)-1-tosylpyrrolidine
CID 17950211
4-[2-[(4-Methylsulfanylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719675
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
CID 583321
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
N-benzyl-4-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44523667
N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2301453
Benzene-1,4-disulfonic acid 1-(benzyl-methyl-amide) 4-[cyclopentyl-(4-fluoro-benzyl)-amide]
CID 3150745

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide (CID 4794386) is N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(NCc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is XESQXNBOZHPWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-17-7-13-21(14-8-17)28(26,27)25-16-22(19-5-3-2-4-6-19)24-15-18-9-11-20(23)12-10-18/h2-14,22,24-25H,15-16H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide?
N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 398.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylamino]-2-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4794386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).