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

C24H25Cl2N3O2S2 — CID 71151795

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

5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 71151795) has the molecular formula C24H25Cl2N3O2S2 and a molecular weight of 522.52 g/mol. Its IUPAC name is 5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide
• PubChem CID: 71151795
• Molecular Formula: C24H25Cl2N3O2S2
• Molecular Weight: 522.52 g/mol
• Exact Mass: 521.08
• IUPAC Name: 5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide
• SMILES: Cc1c(S(=O)(=O)NC2CCN(CCCc3c[nH]c4ccc(Cl)cc34)C2)sc2ccc(Cl)cc12
• InChI: InChI=1S/C24H25Cl2N3O2S2/c1-15-20-11-18(26)5-7-23(20)32-24(15)33(30,31)28-19-8-10-29(14-19)9-2-3-16-13-27-22-6-4-17(25)12-21(16)22/h4-7,11-13,19,27-28H,2-3,8-10,14H2,1H3
• InChIKey: KCZZZOZVCANSAG-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.52
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide (CID 71151795) is 5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide.

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

The canonical SMILES for 5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide is Cc1c(S(=O)(=O)NC2CCN(CCCc3c[nH]c4ccc(Cl)cc34)C2)sc2ccc(Cl)cc12.

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

The InChIKey is KCZZZOZVCANSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2S2/c1-15-20-11-18(26)5-7-23(20)32-24(15)33(30,31)28-19-8-10-29(14-19)9-2-3-16-13-27-22-6-4-17(25)12-21(16)22/h4-7,11-13,19,27-28H,2-3,8-10,14H2,1H3.

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

5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 522.52 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 71151795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).