N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

C24H20ClN5O4S2 — CID 121445752

About N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 121445752) has the molecular formula C24H20ClN5O4S2 and a molecular weight of 542.04 g/mol. Its IUPAC name is N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
• PubChem CID: 121445752
• Molecular Formula: C24H20ClN5O4S2
• Molecular Weight: 542.04 g/mol
• Exact Mass: 541.06
• IUPAC Name: N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
• SMILES: Cc1nc(NC(=O)CNC(=O)c2ccccc2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
• InChI: InChI=1S/C24H20ClN5O4S2/c1-15-21(35-24(28-15)29-20(31)14-27-23(32)16-8-4-2-5-9-16)17-12-19(22(25)26-13-17)30-36(33,34)18-10-6-3-7-11-18/h2-13,30H,14H2,1H3,(H,27,32)(H,28,29,31)
• InChIKey: IPGFLDOVROFFSJ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 130.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.04
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?

The IUPAC name of N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (CID 121445752) is N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is Cc1nc(NC(=O)CNC(=O)c2ccccc2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1.

What is the InChIKey of N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?

The InChIKey is IPGFLDOVROFFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O4S2/c1-15-21(35-24(28-15)29-20(31)14-27-23(32)16-8-4-2-5-9-16)17-12-19(22(25)26-13-17)30-36(33,34)18-10-6-3-7-11-18/h2-13,30H,14H2,1H3,(H,27,32)(H,28,29,31).

What are the key properties of N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?

N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 542.04 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 121445752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).