5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide

C32H30ClN3O3S — CID 58622297

About 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 58622297) has the molecular formula C32H30ClN3O3S and a molecular weight of 572.13 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
• PubChem CID: 58622297
• Molecular Formula: C32H30ClN3O3S
• Molecular Weight: 572.13 g/mol
• Exact Mass: 571.17
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCc4cccc(Cl)c4)c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C32H30ClN3O3S/c1-32(2,3)23-12-15-26(16-13-23)40(38,39)36-25-14-17-28-27(19-25)29(22-9-5-4-6-10-22)30(35-28)31(37)34-20-21-8-7-11-24(33)18-21/h4-19,35-36H,20H2,1-3H3,(H,34,37)
• InChIKey: HMHHNRRZFLEVFX-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 91.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.13
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide (CID 58622297) is 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide.

What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCc4cccc(Cl)c4)c(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?

The InChIKey is HMHHNRRZFLEVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN3O3S/c1-32(2,3)23-12-15-26(16-13-23)40(38,39)36-25-14-17-28-27(19-25)29(22-9-5-4-6-10-22)30(35-28)31(37)34-20-21-8-7-11-24(33)18-21/h4-19,35-36H,20H2,1-3H3,(H,34,37).

What are the key properties of 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?

5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 572.13 g/mol, XLogP of 7.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 58622297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).