6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione

C107H77Cl7N10O25S10 — CID 158113988

IUPAC6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)[nH]c2c1.O=C(Cc1ccc(-n2c(=O)[nH]c3cc(Cl)ccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/2C22H17ClN2O5S2.2C21H14Cl2N2O5S2.C21H15ClN2O5S2/c2*1-13-2-7-17-18(10-13)24-22(28)25(21(17)27)15-5-3-14(4-6-15)11-16(26)12-32(29,30)20-9-8-19(23)31-20;22-13-3-6-17-16(10-13)20(27)25(21(28)24-17)14-4-1-12(2-5-14)9-15(26)11-32(29,30)19-8-7-18(23)31-19;22-13-3-6-16-17(10-13)24-21(28)25(20(16)27)14-4-1-12(2-5-14)9-15(26)11-32(29,30)19-8-7-18(23)31-19;22-18-9-10-19(30-18)31(28,29)12-15(25)11-13-5-7-14(8-6-13)24-20(26)16-3-1-2-4-17(16)23-21(24)27/h2*2-10H,11-12H2,1H3,(H,24,28);2*1-8,10H,9,11H2,(H,24,28);1-10H,11-12H2,(H,23,27)
InChIKeyFQTUVMXMGCFYQG-UHFFFAOYSA-N
MW2471.68 g/mol
LogP16.82
Rot. Bonds30

About 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione

6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione (PubChem CID 158113988) has the molecular formula C107H77Cl7N10O25S10 and a molecular weight of 2471.68 g/mol. Its IUPAC name is 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione
PubChem CID158113988
Molecular FormulaC107H77Cl7N10O25S10
Molecular Weight2471.68 g/mol
Exact Mass2466.01
IUPAC Name6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)[nH]c2c1.O=C(Cc1ccc(-n2c(=O)[nH]c3cc(Cl)ccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/2C22H17ClN2O5S2.2C21H14Cl2N2O5S2.C21H15ClN2O5S2/c2*1-13-2-7-17-18(10-13)24-22(28)25(21(17)27)15-5-3-14(4-6-15)11-16(26)12-32(29,30)20-9-8-19(23)31-20;22-13-3-6-17-16(10-13)20(27)25(21(28)24-17)14-4-1-12(2-5-14)9-15(26)11-32(29,30)19-8-7-18(23)31-19;22-13-3-6-16-17(10-13)24-21(28)25(20(16)27)14-4-1-12(2-5-14)9-15(26)11-32(29,30)19-8-7-18(23)31-19;22-18-9-10-19(30-18)31(28,29)12-15(25)11-13-5-7-14(8-6-13)24-20(26)16-3-1-2-4-17(16)23-21(24)27/h2*2-10H,11-12H2,1H3,(H,24,28);2*1-8,10H,9,11H2,(H,24,28);1-10H,11-12H2,(H,23,27)
InChIKeyFQTUVMXMGCFYQG-UHFFFAOYSA-N
XLogP16.82
TPSA530.35 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002471.68
LogP ≤ 516.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione (CID 158113988) is 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)[nH]c2c1.O=C(Cc1ccc(-n2c(=O)[nH]c3cc(Cl)ccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)CS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione?
The InChIKey is FQTUVMXMGCFYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17ClN2O5S2.2C21H14Cl2N2O5S2.C21H15ClN2O5S2/c2*1-13-2-7-17-18(10-13)24-22(28)25(21(17)27)15-5-3-14(4-6-15)11-16(26)12-32(29,30)20-9-8-19(23)31-20;22-13-3-6-17-16(10-13)20(27)25(21(28)24-17)14-4-1-12(2-5-14)9-15(26)11-32(29,30)19-8-7-18(23)31-19;22-13-3-6-16-17(10-13)24-21(28)25(20(16)27)14-4-1-12(2-5-14)9-15(26)11-32(29,30)19-8-7-18(23)31-19;22-18-9-10-19(30-18)31(28,29)12-15(25)11-13-5-7-14(8-6-13)24-20(26)16-3-1-2-4-17(16)23-21(24)27/h2*2-10H,11-12H2,1H3,(H,24,28);2*1-8,10H,9,11H2,(H,24,28);1-10H,11-12H2,(H,23,27).
What are the key properties of 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione?
6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione has a molecular weight of 2471.68 g/mol, XLogP of 16.82, 30 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 158113988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).