1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C27H31N3O5S2 — CID 43892143

About 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43892143) has the molecular formula C27H31N3O5S2 and a molecular weight of 541.70 g/mol. Its IUPAC name is 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
• PubChem CID: 43892143
• Molecular Formula: C27H31N3O5S2
• Molecular Weight: 541.70 g/mol
• Exact Mass: 541.17
• IUPAC Name: 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
• SMILES: CC(C)c1ccc(N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)S(=O)(=O)c2ccccc2)cc1
• InChI: InChI=1S/C27H31N3O5S2/c1-20(2)21-10-12-23(13-11-21)30(37(34,35)24-8-6-5-7-9-24)19-27(31)29-17-16-22-18-25(14-15-26(22)29)36(32,33)28(3)4/h5-15,18,20H,16-17,19H2,1-4H3
• InChIKey: RZLIUXFWZJEPKG-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 95.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.70
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?

The IUPAC name of 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 43892143) is 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?

The canonical SMILES for 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CC(C)c1ccc(N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)S(=O)(=O)c2ccccc2)cc1.

What is the InChIKey of 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?

The InChIKey is RZLIUXFWZJEPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5S2/c1-20(2)21-10-12-23(13-11-21)30(37(34,35)24-8-6-5-7-9-24)19-27(31)29-17-16-22-18-25(14-15-26(22)29)36(32,33)28(3)4/h5-15,18,20H,16-17,19H2,1-4H3.

What are the key properties of 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?

1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 541.70 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43892143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).