N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C27H26FN3O3S — CID 4837245

About N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 4837245) has the molecular formula C27H26FN3O3S and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• PubChem CID: 4837245
• Molecular Formula: C27H26FN3O3S
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.17
• IUPAC Name: N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• SMILES: Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1S(=O)(=O)Nc1ccc(F)cc1
• InChI: InChI=1S/C27H26FN3O3S/c1-16-3-11-24-22(13-16)23-14-18(5-12-25(23)30-24)27(32)29-21-8-4-17(2)26(15-21)35(33,34)31-20-9-6-19(28)7-10-20/h4-10,12,14-16,30-31H,3,11,13H2,1-2H3,(H,29,32)
• InChIKey: DIGKMTVGYFZGDW-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 91.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The IUPAC name of N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 4837245) is N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The canonical SMILES for N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1S(=O)(=O)Nc1ccc(F)cc1.

What is the InChIKey of N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The InChIKey is DIGKMTVGYFZGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3S/c1-16-3-11-24-22(13-16)23-14-18(5-12-25(23)30-24)27(32)29-21-8-4-17(2)26(15-21)35(33,34)31-20-9-6-19(28)7-10-20/h4-10,12,14-16,30-31H,3,11,13H2,1-2H3,(H,29,32).

What are the key properties of N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 5.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 4837245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).