1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea

C140H93BrCl7F11N30O33S16 — CID 158328665

IUPAC1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
SMILESCOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.NOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H19ClFN5O4S2.C20H11ClF4N4O4S2.C20H14ClFN4O6S3.C20H14ClFN4O5S2.C19H11BrClFN4O4S2.C19H11ClF2N4O4S2.C19H13ClFN5O6S3/c24-20-7-8-21(35-20)36(33,34)28-23(32)27-14-3-6-19(17(25)11-14)30-13-26-18-12-15(29-9-1-2-10-29)4-5-16(18)22(30)31;21-16-5-6-17(34-16)35(32,33)28-19(31)27-11-2-4-15(13(22)8-11)29-9-26-14-3-1-10(20(23,24)25)7-12(14)18(29)30;1-31-32-34-12-3-4-15-13(9-12)19(27)26(10-23-15)16-5-2-11(8-14(16)22)24-20(28)25-35(29,30)18-7-6-17(21)33-18;1-31-12-3-4-15-13(9-12)19(27)26(10-23-15)16-5-2-11(8-14(16)22)24-20(28)25-33(29,30)18-7-6-17(21)32-18;20-10-1-3-14-12(7-10)18(27)26(9-23-14)15-4-2-11(8-13(15)22)24-19(28)25-32(29,30)17-6-5-16(21)31-17;20-16-5-6-17(31-16)32(29,30)25-19(28)24-11-2-4-15(13(22)8-11)26-9-23-14-3-1-10(21)7-12(14)18(26)27;20-16-5-6-17(33-16)35(29,30)25-19(28)24-10-1-4-15(13(21)7-10)26-9-23-14-3-2-11(34-32-31-22)8-12(14)18(26)27/h3-8,11-13H,1-2,9-10H2,(H2,27,28,32);1-9H,(H2,27,28,31);2-10H,1H3,(H2,24,25,28);2-10H,1H3,(H2,24,25,28);2*1-9H,(H2,24,25,28);1-9H,22H2,(H2,24,25,28)
InChIKeyGPSPPJBLXXKIEJ-UHFFFAOYSA-N
MW3773.59 g/mol
LogP29.19
Rot. Bonds36

About 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea

1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea (PubChem CID 158328665) has the molecular formula C140H93BrCl7F11N30O33S16 and a molecular weight of 3773.59 g/mol. Its IUPAC name is 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
PubChem CID158328665
Molecular FormulaC140H93BrCl7F11N30O33S16
Molecular Weight3773.59 g/mol
Exact Mass3765.89
IUPAC Name1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
SMILESCOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.NOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H19ClFN5O4S2.C20H11ClF4N4O4S2.C20H14ClFN4O6S3.C20H14ClFN4O5S2.C19H11BrClFN4O4S2.C19H11ClF2N4O4S2.C19H13ClFN5O6S3/c24-20-7-8-21(35-20)36(33,34)28-23(32)27-14-3-6-19(17(25)11-14)30-13-26-18-12-15(29-9-1-2-10-29)4-5-16(18)22(30)31;21-16-5-6-17(34-16)35(32,33)28-19(31)27-11-2-4-15(13(22)8-11)29-9-26-14-3-1-10(20(23,24)25)7-12(14)18(29)30;1-31-32-34-12-3-4-15-13(9-12)19(27)26(10-23-15)16-5-2-11(8-14(16)22)24-20(28)25-35(29,30)18-7-6-17(21)33-18;1-31-12-3-4-15-13(9-12)19(27)26(10-23-15)16-5-2-11(8-14(16)22)24-20(28)25-33(29,30)18-7-6-17(21)32-18;20-10-1-3-14-12(7-10)18(27)26(9-23-14)15-4-2-11(8-13(15)22)24-19(28)25-32(29,30)17-6-5-16(21)31-17;20-16-5-6-17(31-16)32(29,30)25-19(28)24-11-2-4-15(13(22)8-11)26-9-23-14-3-1-10(21)7-12(14)18(26)27;20-16-5-6-17(33-16)35(29,30)25-19(28)24-10-1-4-15(13(21)7-10)26-9-23-14-3-2-11(34-32-31-22)8-12(14)18(26)27/h3-8,11-13H,1-2,9-10H2,(H2,27,28,32);1-9H,(H2,27,28,31);2-10H,1H3,(H2,24,25,28);2-10H,1H3,(H2,24,25,28);2*1-9H,(H2,24,25,28);1-9H,22H2,(H2,24,25,28)
InChIKeyGPSPPJBLXXKIEJ-UHFFFAOYSA-N
XLogP29.19
TPSA846.53 Ų
H-Bond Donors15
H-Bond Acceptors58
Rotatable Bonds36
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003773.59
LogP ≤ 529.19
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1058

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'}

Analyze 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The IUPAC name of 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea (CID 158328665) is 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea.
What is the SMILES notation for 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The canonical SMILES for 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea is COOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.NOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The InChIKey is GPSPPJBLXXKIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O4S2.C20H11ClF4N4O4S2.C20H14ClFN4O6S3.C20H14ClFN4O5S2.C19H11BrClFN4O4S2.C19H11ClF2N4O4S2.C19H13ClFN5O6S3/c24-20-7-8-21(35-20)36(33,34)28-23(32)27-14-3-6-19(17(25)11-14)30-13-26-18-12-15(29-9-1-2-10-29)4-5-16(18)22(30)31;21-16-5-6-17(34-16)35(32,33)28-19(31)27-11-2-4-15(13(22)8-11)29-9-26-14-3-1-10(20(23,24)25)7-12(14)18(29)30;1-31-32-34-12-3-4-15-13(9-12)19(27)26(10-23-15)16-5-2-11(8-14(16)22)24-20(28)25-35(29,30)18-7-6-17(21)33-18;1-31-12-3-4-15-13(9-12)19(27)26(10-23-15)16-5-2-11(8-14(16)22)24-20(28)25-33(29,30)18-7-6-17(21)32-18;20-10-1-3-14-12(7-10)18(27)26(9-23-14)15-4-2-11(8-13(15)22)24-19(28)25-32(29,30)17-6-5-16(21)31-17;20-16-5-6-17(31-16)32(29,30)25-19(28)24-11-2-4-15(13(22)8-11)26-9-23-14-3-1-10(21)7-12(14)18(26)27;20-16-5-6-17(33-16)35(29,30)25-19(28)24-10-1-4-15(13(21)7-10)26-9-23-14-3-2-11(34-32-31-22)8-12(14)18(26)27/h3-8,11-13H,1-2,9-10H2,(H2,27,28,32);1-9H,(H2,27,28,31);2-10H,1H3,(H2,24,25,28);2-10H,1H3,(H2,24,25,28);2*1-9H,(H2,24,25,28);1-9H,22H2,(H2,24,25,28).
What are the key properties of 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea has a molecular weight of 3773.59 g/mol, XLogP of 29.19, 36 rotatable bonds, 15 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-fluoro-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 158328665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).