2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide

C26H25ClN2O4S — CID 55456823

About 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide

2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide (PubChem CID 55456823) has the molecular formula C26H25ClN2O4S and a molecular weight of 497.02 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
• PubChem CID: 55456823
• Molecular Formula: C26H25ClN2O4S
• Molecular Weight: 497.02 g/mol
• Exact Mass: 496.12
• IUPAC Name: 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
• SMILES: C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCc3ccccc32)c1
• InChI: InChI=1S/C26H25ClN2O4S/c1-3-16-29(24-10-6-7-11-25(24)33-2)34(31,32)19-13-14-22(27)21(17-19)26(30)28-23-15-12-18-8-4-5-9-20(18)23/h3-11,13-14,17,23H,1,12,15-16H2,2H3,(H,28,30)
• InChIKey: IQZLVUYLGWSGIJ-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.02
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide?

The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide (CID 55456823) is 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide.

What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide?

The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide is C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCc3ccccc32)c1.

What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide?

The InChIKey is IQZLVUYLGWSGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4S/c1-3-16-29(24-10-6-7-11-25(24)33-2)34(31,32)19-13-14-22(27)21(17-19)26(30)28-23-15-12-18-8-4-5-9-20(18)23/h3-11,13-14,17,23H,1,12,15-16H2,2H3,(H,28,30).

What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide?

2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide has a molecular weight of 497.02 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide is sourced from PubChem (CID 55456823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).