1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea

C116H82Cl8N26O27S13 — CID 159820759

About 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea

1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea (PubChem CID 159820759) has the molecular formula C116H82Cl8N26O27S13 and a molecular weight of 2972.58 g/mol. Its IUPAC name is 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea
• PubChem CID: 159820759
• Molecular Formula: C116H82Cl8N26O27S13
• Molecular Weight: 2972.58 g/mol
• Exact Mass: 2965.97
• IUPAC Name: 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea
• SMILES: CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.NOOSc1ccc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2ccc3cc(Cl)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3ccc(Cl)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3ccccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C20H16ClN5O4S2.C20H15ClN4O5S2.2C19H12Cl2N4O4S2.C19H14ClN5O6S3.C19H13ClN4O4S2/c1-22-13-2-4-15-12(10-13)8-9-26(19(15)27)17-6-3-14(11-23-17)24-20(28)25-32(29,30)18-7-5-16(21)31-18;1-30-14-3-4-15-12(10-14)8-9-25(19(15)26)17-6-2-13(11-22-17)23-20(27)24-32(28,29)18-7-5-16(21)31-18;20-12-1-3-14-11(9-12)7-8-25(18(14)26)16-5-2-13(10-22-16)23-19(27)24-31(28,29)17-6-4-15(21)30-17;20-12-2-1-11-7-8-25(18(26)14(11)9-12)16-5-3-13(10-22-16)23-19(27)24-31(28,29)17-6-4-15(21)30-17;20-15-4-6-17(32-15)34(28,29)24-19(27)23-12-2-5-16(22-10-12)25-8-7-11-1-3-13(33-31-30-21)9-14(11)18(25)26;20-15-6-8-17(29-15)30(27,28)23-19(26)22-13-5-7-16(21-11-13)24-10-9-12-3-1-2-4-14(12)18(24)25/h2-11,22H,1H3,(H2,24,25,28);2-11H,1H3,(H2,23,24,27);2*1-10H,(H2,23,24,27);1-10H,21H2,(H2,23,24,27);1-11H,(H2,22,23,26)
• InChIKey: NMEVJKIURQCZFH-UHFFFAOYSA-N
• XLogP: 22.85
• TPSA: 726.70 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 48
• Rotatable Bonds: 29
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2972.58
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea?

The IUPAC name of 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea (CID 159820759) is 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea.

What is the SMILES notation for 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea?

The canonical SMILES for 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea is CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.NOOSc1ccc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2ccc3cc(Cl)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3ccc(Cl)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3ccccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea?

The InChIKey is NMEVJKIURQCZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O4S2.C20H15ClN4O5S2.2C19H12Cl2N4O4S2.C19H14ClN5O6S3.C19H13ClN4O4S2/c1-22-13-2-4-15-12(10-13)8-9-26(19(15)27)17-6-3-14(11-23-17)24-20(28)25-32(29,30)18-7-5-16(21)31-18;1-30-14-3-4-15-12(10-14)8-9-25(19(15)26)17-6-2-13(11-22-17)23-20(27)24-32(28,29)18-7-5-16(21)31-18;20-12-1-3-14-11(9-12)7-8-25(18(14)26)16-5-2-13(10-22-16)23-19(27)24-31(28,29)17-6-4-15(21)30-17;20-12-2-1-11-7-8-25(18(26)14(11)9-12)16-5-3-13(10-22-16)23-19(27)24-31(28,29)17-6-4-15(21)30-17;20-15-4-6-17(32-15)34(28,29)24-19(27)23-12-2-5-16(22-10-12)25-8-7-11-1-3-13(33-31-30-21)9-14(11)18(25)26;20-15-6-8-17(29-15)30(27,28)23-19(26)22-13-5-7-16(21-11-13)24-10-9-12-3-1-2-4-14(12)18(24)25/h2-11,22H,1H3,(H2,24,25,28);2-11H,1H3,(H2,23,24,27);2*1-10H,(H2,23,24,27);1-10H,21H2,(H2,23,24,27);1-11H,(H2,22,23,26).

What are the key properties of 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea?

1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea has a molecular weight of 2972.58 g/mol, XLogP of 22.85, 29 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(7-aminoperoxysulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 159820759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).