5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide

C21H21NO4S2 — CID 11977510

IUPAC5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C21H21NO4S2/c1-17-12-13-20(27(23,24)19-10-6-3-7-11-19)16-21(17)28(25,26)22-15-14-18-8-4-2-5-9-18/h2-13,16,22H,14-15H2,1H3
InChIKeyLIZDBEGZOXTKPD-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.35
Rot. Bonds7

About 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide

5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 11977510) has the molecular formula C21H21NO4S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID11977510
Molecular FormulaC21H21NO4S2
Molecular Weight415.54 g/mol
Exact Mass415.09
IUPAC Name5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C21H21NO4S2/c1-17-12-13-20(27(23,24)19-10-6-3-7-11-19)16-21(17)28(25,26)22-15-14-18-8-4-2-5-9-18/h2-13,16,22H,14-15H2,1H3
InChIKeyLIZDBEGZOXTKPD-UHFFFAOYSA-N
XLogP3.35
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 11977510) is 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is LIZDBEGZOXTKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S2/c1-17-12-13-20(27(23,24)19-10-6-3-7-11-19)16-21(17)28(25,26)22-15-14-18-8-4-2-5-9-18/h2-13,16,22H,14-15H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide?
5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 415.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 11977510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).