N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide

C21H21NO3S2 — CID 21178346

IUPACN-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide
SMILESCSc1ccc(OC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO3S2/c1-26-19-14-12-18(13-15-19)25-21(17-8-4-2-5-9-17)16-22-27(23,24)20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3
InChIKeySQWNXAXBUVCQRG-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.51
Rot. Bonds8

About N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide

N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide (PubChem CID 21178346) has the molecular formula C21H21NO3S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide
PubChem CID21178346
Molecular FormulaC21H21NO3S2
Molecular Weight399.54 g/mol
Exact Mass399.10
IUPAC NameN-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide
SMILESCSc1ccc(OC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO3S2/c1-26-19-14-12-18(13-15-19)25-21(17-8-4-2-5-9-17)16-22-27(23,24)20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3
InChIKeySQWNXAXBUVCQRG-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
CID 57408238
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
[(1R)-2-(benzenesulfonamido)-1-phenylethyl] 2,2,2-trichloroacetate
CID 2325808
3-(benzenesulfonamido)-2-phenoxypropanoic acid
CID 21178348
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552366
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]benzenesulfonamide
CID 25139967
4-methyl-N-[3-(4-nitrophenoxy)-3-phenylpropyl]benzenesulfonamide
CID 25139826
4-[3-(benzenesulfonamido)-1-phenoxypropyl]benzoic acid
CID 90733848

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide (CID 21178346) is N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide is CSc1ccc(OC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide?
The InChIKey is SQWNXAXBUVCQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S2/c1-26-19-14-12-18(13-15-19)25-21(17-8-4-2-5-9-17)16-22-27(23,24)20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3.
What are the key properties of N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide?
N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide has a molecular weight of 399.54 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 21178346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).