4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide

C22H30N4O5S2 — CID 55572849

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 55572849) has the molecular formula C22H30N4O5S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide
• PubChem CID: 55572849
• Molecular Formula: C22H30N4O5S2
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.17
• IUPAC Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide
• SMILES: Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n(C2CCS(=O)(=O)C2)n1
• InChI: InChI=1S/C22H30N4O5S2/c1-16-14-21(26(24-16)19-12-13-32(28,29)15-19)23-22(27)17-8-10-20(11-9-17)33(30,31)25(2)18-6-4-3-5-7-18/h8-11,14,18-19H,3-7,12-13,15H2,1-2H3,(H,23,27)
• InChIKey: ZNQNFJGTECUYQF-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 118.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide?

The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide (CID 55572849) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide.

What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide?

The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n(C2CCS(=O)(=O)C2)n1.

What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide?

The InChIKey is ZNQNFJGTECUYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S2/c1-16-14-21(26(24-16)19-12-13-32(28,29)15-19)23-22(27)17-8-10-20(11-9-17)33(30,31)25(2)18-6-4-3-5-7-18/h8-11,14,18-19H,3-7,12-13,15H2,1-2H3,(H,23,27).

What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide?

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 494.64 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 55572849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).