1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea

C113H76BrCl7F4N32O32S13 — CID 160696070

About 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea

1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea (PubChem CID 160696070) has the molecular formula C113H76BrCl7F4N32O32S13 and a molecular weight of 3214.98 g/mol. Its IUPAC name is 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea
• PubChem CID: 160696070
• Molecular Formula: C113H76BrCl7F4N32O32S13
• Molecular Weight: 3214.98 g/mol
• Exact Mass: 3207.86
• IUPAC Name: 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea
• SMILES: NOOSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(N4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C22H19ClN6O5S2.C19H11ClF3N5O5S2.C18H11BrClN5O5S2.C18H11Cl2N5O5S2.C18H11ClFN5O5S2.C18H13ClN6O7S3/c23-17-6-8-19(35-17)36(33,34)27-21(31)25-13-3-7-18(24-12-13)29-20(30)15-5-4-14(28-9-1-2-10-28)11-16(15)26-22(29)32;20-13-4-6-15(34-13)35(32,33)27-17(30)25-10-2-5-14(24-8-10)28-16(29)11-7-9(19(21,22)23)1-3-12(11)26-18(28)31;2*19-9-1-3-12-11(7-9)16(26)25(18(28)23-12)14-5-2-10(8-21-14)22-17(27)24-32(29,30)15-6-4-13(20)31-15;19-13-4-6-15(31-13)32(29,30)24-17(27)22-10-2-5-14(21-8-10)25-16(26)11-7-9(20)1-3-12(11)23-18(25)28;19-13-4-6-15(33-13)35(29,30)24-17(27)22-9-1-5-14(21-8-9)25-16(26)11-7-10(34-32-31-20)2-3-12(11)23-18(25)28/h3-8,11-12H,1-2,9-10H2,(H,26,32)(H2,25,27,31);1-8H,(H,26,31)(H2,25,27,30);3*1-8H,(H,23,28)(H2,22,24,27);1-8H,20H2,(H,23,28)(H2,22,24,27)
• InChIKey: RPZZTKMWANUXID-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 905.84 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 53
• Rotatable Bonds: 28
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3214.98
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	53

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-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea?

The IUPAC name of 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea (CID 160696070) is 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea.

What is the SMILES notation for 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea?

The canonical SMILES for 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea is NOOSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(N4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea?

The InChIKey is RPZZTKMWANUXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O5S2.C19H11ClF3N5O5S2.C18H11BrClN5O5S2.C18H11Cl2N5O5S2.C18H11ClFN5O5S2.C18H13ClN6O7S3/c23-17-6-8-19(35-17)36(33,34)27-21(31)25-13-3-7-18(24-12-13)29-20(30)15-5-4-14(28-9-1-2-10-28)11-16(15)26-22(29)32;20-13-4-6-15(34-13)35(32,33)27-17(30)25-10-2-5-14(24-8-10)28-16(29)11-7-9(19(21,22)23)1-3-12(11)26-18(28)31;2*19-9-1-3-12-11(7-9)16(26)25(18(28)23-12)14-5-2-10(8-21-14)22-17(27)24-32(29,30)15-6-4-13(20)31-15;19-13-4-6-15(31-13)32(29,30)24-17(27)22-10-2-5-14(21-8-10)25-16(26)11-7-9(20)1-3-12(11)23-18(25)28;19-13-4-6-15(33-13)35(29,30)24-17(27)22-9-1-5-14(21-8-9)25-16(26)11-7-10(34-32-31-20)2-3-12(11)23-18(25)28/h3-8,11-12H,1-2,9-10H2,(H,26,32)(H2,25,27,31);1-8H,(H,26,31)(H2,25,27,30);3*1-8H,(H,23,28)(H2,22,24,27);1-8H,20H2,(H,23,28)(H2,22,24,27).

What are the key properties of 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea?

1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea has a molecular weight of 3214.98 g/mol, XLogP of 16.80, 28 rotatable bonds, 19 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea is sourced from PubChem (CID 160696070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).