6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide

C133H101BrCl6FN13O26S13 — CID 158092153

IUPAC6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide
SMILESCc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Cc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(Br)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(F)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O
InChIInChI=1S/C25H22ClN3O4S2.3C22H17ClN2O4S2.C21H14BrClN2O4S2.C21H14ClFN2O4S2.O2S/c26-23-9-10-24(34-23)35(32,33)15-20(30)13-17-3-5-18(6-4-17)29-16-27-22-14-19(28-11-1-2-12-28)7-8-21(22)25(29)31;3*1-14-2-7-19-18(10-14)22(27)25(13-24-19)16-5-3-15(4-6-16)11-17(26)12-31(28,29)21-9-8-20(23)30-21;22-14-3-6-18-17(10-14)21(27)25(12-24-18)15-4-1-13(2-5-15)9-16(26)11-31(28,29)20-8-7-19(23)30-20;22-19-7-8-20(30-19)31(28,29)11-16(26)9-13-1-4-15(5-2-13)25-12-24-18-6-3-14(23)10-17(18)21(25)27;1-3-2/h3-10,14,16H,1-2,11-13,15H2;3*2-10,13H,11-12H2,1H3;2*1-8,10,12H,9,11H2;
InChIKeyFOFVVZUWBUPKMX-UHFFFAOYSA-N
MW3025.83 g/mol
LogP23.87
Rot. Bonds37

About 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide

6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide (PubChem CID 158092153) has the molecular formula C133H101BrCl6FN13O26S13 and a molecular weight of 3025.83 g/mol. Its IUPAC name is 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide.

Molecular Properties

Compound Name6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide
PubChem CID158092153
Molecular FormulaC133H101BrCl6FN13O26S13
Molecular Weight3025.83 g/mol
Exact Mass3019.06
IUPAC Name6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide
SMILESCc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Cc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(Br)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(F)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O
InChIInChI=1S/C25H22ClN3O4S2.3C22H17ClN2O4S2.C21H14BrClN2O4S2.C21H14ClFN2O4S2.O2S/c26-23-9-10-24(34-23)35(32,33)15-20(30)13-17-3-5-18(6-4-17)29-16-27-22-14-19(28-11-1-2-12-28)7-8-21(22)25(29)31;3*1-14-2-7-19-18(10-14)22(27)25(13-24-19)16-5-3-15(4-6-16)11-17(26)12-31(28,29)21-9-8-20(23)30-21;22-14-3-6-18-17(10-14)21(27)25(12-24-18)15-4-1-13(2-5-15)9-16(26)11-31(28,29)20-8-7-19(23)30-20;22-19-7-8-20(30-19)31(28,29)11-16(26)9-13-1-4-15(5-2-13)25-12-24-18-6-3-14(23)10-17(18)21(25)27;1-3-2/h3-10,14,16H,1-2,11-13,15H2;3*2-10,13H,11-12H2,1H3;2*1-8,10,12H,9,11H2;
InChIKeyFOFVVZUWBUPKMX-UHFFFAOYSA-N
XLogP23.87
TPSA553.98 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds37
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003025.83
LogP ≤ 523.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide?
The IUPAC name of 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide (CID 158092153) is 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide.
What is the SMILES notation for 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide?
The canonical SMILES for 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide is Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Cc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(Br)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(F)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O.
What is the InChIKey of 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide?
The InChIKey is FOFVVZUWBUPKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4S2.3C22H17ClN2O4S2.C21H14BrClN2O4S2.C21H14ClFN2O4S2.O2S/c26-23-9-10-24(34-23)35(32,33)15-20(30)13-17-3-5-18(6-4-17)29-16-27-22-14-19(28-11-1-2-12-28)7-8-21(22)25(29)31;3*1-14-2-7-19-18(10-14)22(27)25(13-24-19)16-5-3-15(4-6-16)11-17(26)12-31(28,29)21-9-8-20(23)30-21;22-14-3-6-18-17(10-14)21(27)25(12-24-18)15-4-1-13(2-5-15)9-16(26)11-31(28,29)20-8-7-19(23)30-20;22-19-7-8-20(30-19)31(28,29)11-16(26)9-13-1-4-15(5-2-13)25-12-24-18-6-3-14(23)10-17(18)21(25)27;1-3-2/h3-10,14,16H,1-2,11-13,15H2;3*2-10,13H,11-12H2,1H3;2*1-8,10,12H,9,11H2;.
What are the key properties of 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide?
6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide has a molecular weight of 3025.83 g/mol, XLogP of 23.87, 37 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]quinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoroquinazolin-4-one;tris(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide is sourced from PubChem (CID 158092153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).