4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide

C20H20N2O4S2 — CID 5222462

IUPAC4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O4S2/c23-27(24,21-16-15-17-7-3-1-4-8-17)20-13-11-18(12-14-20)22-28(25,26)19-9-5-2-6-10-19/h1-14,21-22H,15-16H2
InChIKeyLVTFGXYJRLCVPJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.01
Rot. Bonds8

About 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide

4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 5222462) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID5222462
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O4S2/c23-27(24,21-16-15-17-7-3-1-4-8-17)20-13-11-18(12-14-20)22-28(25,26)19-9-5-2-6-10-19/h1-14,21-22H,15-16H2
InChIKeyLVTFGXYJRLCVPJ-UHFFFAOYSA-N
XLogP3.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 168522081
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide (CID 5222462) is 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is LVTFGXYJRLCVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c23-27(24,21-16-15-17-7-3-1-4-8-17)20-13-11-18(12-14-20)22-28(25,26)19-9-5-2-6-10-19/h1-14,21-22H,15-16H2.
What are the key properties of 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide?
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 5222462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).