N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide

C24H27N5O2S2 — CID 46380169

About N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide

N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 46380169) has the molecular formula C24H27N5O2S2 and a molecular weight of 481.65 g/mol. Its IUPAC name is N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
• PubChem CID: 46380169
• Molecular Formula: C24H27N5O2S2
• Molecular Weight: 481.65 g/mol
• Exact Mass: 481.16
• IUPAC Name: N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
• SMILES: CCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1
• InChI: InChI=1S/C24H27N5O2S2/c1-5-22-17(4)27-24-25-15-26-29(24)23(22)32-20-10-8-19(9-11-20)28-33(30,31)21-12-6-18(7-13-21)14-16(2)3/h6-13,15-16,28H,5,14H2,1-4H3
• InChIKey: FGTWTQZUCFWQDC-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 89.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.65
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?

The IUPAC name of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide (CID 46380169) is N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide.

What is the SMILES notation for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?

The canonical SMILES for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide is CCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1.

What is the InChIKey of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?

The InChIKey is FGTWTQZUCFWQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S2/c1-5-22-17(4)27-24-25-15-26-29(24)23(22)32-20-10-8-19(9-11-20)28-33(30,31)21-12-6-18(7-13-21)14-16(2)3/h6-13,15-16,28H,5,14H2,1-4H3.

What are the key properties of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?

N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 481.65 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 46380169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).