4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C27H35N5O5S2 — CID 18590086

About 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 18590086) has the molecular formula C27H35N5O5S2 and a molecular weight of 573.74 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
• PubChem CID: 18590086
• Molecular Formula: C27H35N5O5S2
• Molecular Weight: 573.74 g/mol
• Exact Mass: 573.21
• IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
• SMILES: Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)cc2)n1
• InChI: InChI=1S/C27H35N5O5S2/c1-18(2)16-32(17-19(3)4)39(36,37)25-11-7-22(8-12-25)26(33)30-23-9-13-24(14-10-23)38(34,35)31-27-28-20(5)15-21(6)29-27/h7-15,18-19H,16-17H2,1-6H3,(H,30,33)(H,28,29,31)
• InChIKey: IUIMJXLZCRVGIT-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 138.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.74
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?

The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 18590086) is 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?

The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)cc2)n1.

What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?

The InChIKey is IUIMJXLZCRVGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O5S2/c1-18(2)16-32(17-19(3)4)39(36,37)25-11-7-22(8-12-25)26(33)30-23-9-13-24(14-10-23)38(34,35)31-27-28-20(5)15-21(6)29-27/h7-15,18-19H,16-17H2,1-6H3,(H,30,33)(H,28,29,31).

What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?

4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 573.74 g/mol, XLogP of 4.45, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18590086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).