bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide

C69H75N3O6S3 — CID 139123224

About bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide

bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 139123224) has the molecular formula C69H75N3O6S3 and a molecular weight of 1138.57 g/mol. Its IUPAC name is bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide
• PubChem CID: 139123224
• Molecular Formula: C69H75N3O6S3
• Molecular Weight: 1138.57 g/mol
• Exact Mass: 1137.48
• IUPAC Name: bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide
• SMILES: Cc1ccc([C@@H](c2ccccc2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc([C@@H](c2ccccc2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc([C@H](c2ccccc2)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1
• InChI: InChI=1S/3C23H25NO2S/c3*1-17-9-13-21(14-10-17)23(20-7-5-4-6-8-20)19(3)24-27(25,26)22-15-11-18(2)12-16-22/h3*4-16,19,23-24H,1-3H3/t3*19-,23-/m110/s1
• InChIKey: KPSLDDBANDOCAF-PVIUPTDYSA-N
• XLogP: 14.41
• TPSA: 138.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1138.57
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide?

The IUPAC name of bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide (CID 139123224) is bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide.

What is the SMILES notation for bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide?

The canonical SMILES for bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide is Cc1ccc([C@@H](c2ccccc2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc([C@@H](c2ccccc2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc([C@H](c2ccccc2)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1.

What is the InChIKey of bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide?

The InChIKey is KPSLDDBANDOCAF-PVIUPTDYSA-N. The full InChI is InChI=1S/3C23H25NO2S/c3*1-17-9-13-21(14-10-17)23(20-7-5-4-6-8-20)19(3)24-27(25,26)22-15-11-18(2)12-16-22/h3*4-16,19,23-24H,1-3H3/t3*19-,23-/m110/s1.

What are the key properties of bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide?

bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 1138.57 g/mol, XLogP of 14.41, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-methyl-N-[(1R,2R)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide);4-methyl-N-[(1S,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 139123224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).