5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide

C24H28ClN3O2S2 — CID 10300034

About 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide

5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 10300034) has the molecular formula C24H28ClN3O2S2 and a molecular weight of 490.09 g/mol. Its IUPAC name is 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide
• PubChem CID: 10300034
• Molecular Formula: C24H28ClN3O2S2
• Molecular Weight: 490.09 g/mol
• Exact Mass: 489.13
• IUPAC Name: 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide
• SMILES: CCN(CC)CCCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
• InChI: InChI=1S/C24H28ClN3O2S2/c1-4-28(5-2)12-6-7-17-15-26-22-10-9-19(14-21(17)22)27-32(29,30)24-16(3)20-13-18(25)8-11-23(20)31-24/h8-11,13-15,26-27H,4-7,12H2,1-3H3
• InChIKey: ACGFJJWYZNMORR-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.09
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide?

The IUPAC name of 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide (CID 10300034) is 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide.

What is the SMILES notation for 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide?

The canonical SMILES for 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide is CCN(CC)CCCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12.

What is the InChIKey of 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide?

The InChIKey is ACGFJJWYZNMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2S2/c1-4-28(5-2)12-6-7-17-15-26-22-10-9-19(14-21(17)22)27-32(29,30)24-16(3)20-13-18(25)8-11-23(20)31-24/h8-11,13-15,26-27H,4-7,12H2,1-3H3.

What are the key properties of 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide?

5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 490.09 g/mol, XLogP of 6.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 10300034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).