N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide

C17H21NO2S2 — CID 1252577

IUPACN-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C17H21NO2S2/c1-4-13-7-6-8-14(5-2)17(13)18-22(19,20)16-11-9-15(21-3)10-12-16/h6-12,18H,4-5H2,1-3H3
InChIKeyPJUHEBLSRYDPFV-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.33
Rot. Bonds6

About N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide

N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 1252577) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID1252577
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC NameN-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C17H21NO2S2/c1-4-13-7-6-8-14(5-2)17(13)18-22(19,20)16-11-9-15(21-3)10-12-16/h6-12,18H,4-5H2,1-3H3
InChIKeyPJUHEBLSRYDPFV-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]acetamide
CID 2725688
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100560523
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
CID 75435489
4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 22773751
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591623

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide (CID 1252577) is N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide is CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is PJUHEBLSRYDPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-4-13-7-6-8-14(5-2)17(13)18-22(19,20)16-11-9-15(21-3)10-12-16/h6-12,18H,4-5H2,1-3H3.
What are the key properties of N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 335.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 1252577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).