N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine

C38H39BrCl2F2N10O6S4 — CID 157279377

About N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine

N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine (PubChem CID 157279377) has the molecular formula C38H39BrCl2F2N10O6S4 and a molecular weight of 1048.87 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine
• PubChem CID: 157279377
• Molecular Formula: C38H39BrCl2F2N10O6S4
• Molecular Weight: 1048.87 g/mol
• Exact Mass: 1046.05
• IUPAC Name: N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine
• SMILES: CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Br)nc2)c1F.CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Nc3ncc(C)s3)nc2)c1F.Cc1cnc(N)s1
• InChI: InChI=1S/C19H19ClFN5O3S2.C15H14BrClFN3O3S.C4H6N2S/c1-3-8-31(28,29)26-14-6-5-13(20)16(17(14)21)18(27)24-12-4-7-15(22-10-12)25-19-23-9-11(2)30-19;1-2-7-25(23,24)21-11-5-4-10(17)13(14(11)18)15(22)20-9-3-6-12(16)19-8-9;1-3-2-6-4(5)7-3/h4-7,9-10,26H,3,8H2,1-2H3,(H,24,27)(H,22,23,25);3-6,8,21H,2,7H2,1H3,(H,20,22);2H,1H3,(H2,5,6)
• InChIKey: AZMDIVPRPJFHGQ-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 240.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1048.87
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine (CID 157279377) is N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Br)nc2)c1F.CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Nc3ncc(C)s3)nc2)c1F.Cc1cnc(N)s1.

What is the InChIKey of N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine?

The InChIKey is AZMDIVPRPJFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O3S2.C15H14BrClFN3O3S.C4H6N2S/c1-3-8-31(28,29)26-14-6-5-13(20)16(17(14)21)18(27)24-12-4-7-15(22-10-12)25-19-23-9-11(2)30-19;1-2-7-25(23,24)21-11-5-4-10(17)13(14(11)18)15(22)20-9-3-6-12(16)19-8-9;1-3-2-6-4(5)7-3/h4-7,9-10,26H,3,8H2,1-2H3,(H,24,27)(H,22,23,25);3-6,8,21H,2,7H2,1H3,(H,20,22);2H,1H3,(H2,5,6).

What are the key properties of N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine?

N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine has a molecular weight of 1048.87 g/mol, XLogP of 9.86, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 157279377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).