4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen

C24H27FN6O3S2 — CID 158616201

About 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen

4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158616201) has the molecular formula C24H27FN6O3S2 and a molecular weight of 530.65 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158616201
• Molecular Formula: C24H27FN6O3S2
• Molecular Weight: 530.65 g/mol
• Exact Mass: 530.16
• IUPAC Name: 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
• SMILES: Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)n4ccc5c(F)cccc54)CC3)cc2)n1.[H][H]
• InChI: InChI=1S/C24H25FN6O3S2.H2/c1-16(31-11-10-20-21(25)4-3-5-22(20)31)23(32)30-14-12-29(13-15-30)18-6-8-19(9-7-18)36(33,34)28-24-26-17(2)27-35-24;/h3-11,16H,12-15H2,1-2H3,(H,26,27,28);1H/t16-;/m1./s1
• InChIKey: HXKNXNPSNQCZJW-PKLMIRHRSA-N
• XLogP: 3.90
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.65
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen (CID 158616201) is 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen is Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)n4ccc5c(F)cccc54)CC3)cc2)n1.[H][H].

What is the InChIKey of 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is HXKNXNPSNQCZJW-PKLMIRHRSA-N. The full InChI is InChI=1S/C24H25FN6O3S2.H2/c1-16(31-11-10-20-21(25)4-3-5-22(20)31)23(32)30-14-12-29(13-15-30)18-6-8-19(9-7-18)36(33,34)28-24-26-17(2)27-35-24;/h3-11,16H,12-15H2,1-2H3,(H,26,27,28);1H/t16-;/m1./s1.

What are the key properties of 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 530.65 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158616201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).