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

C112H83Cl10N11O27S11 — CID 157105808

IUPAC3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide
SMILESCc1ccc2[nH]c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.Cc1ccc2[nH]c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.O=C(Cc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O
InChIInChI=1S/C24H19Cl2N3O5S2.4C22H16Cl2N2O5S2.O2S/c25-18-10-13(9-16(30)12-36(33,34)22-8-7-21(26)35-22)1-6-20(18)29-23(31)17-5-4-15(27-14-2-3-14)11-19(17)28-24(29)32;2*1-12-2-4-17-15(8-12)21(28)26(22(29)25-17)18-5-3-13(10-16(18)23)9-14(27)11-33(30,31)20-7-6-19(24)32-20;2*1-12-2-4-15-17(8-12)25-22(29)26(21(15)28)18-5-3-13(10-16(18)23)9-14(27)11-33(30,31)20-7-6-19(24)32-20;1-3-2/h1,4-8,10-11,14,27H,2-3,9,12H2,(H,28,32);4*2-8,10H,9,11H2,1H3,(H,25,29);
InChIKeyAGHCIGQJMHRZMO-UHFFFAOYSA-N
MW2722.21 g/mol
LogP19.30
Rot. Bonds32

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

3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide (PubChem CID 157105808) has the molecular formula C112H83Cl10N11O27S11 and a molecular weight of 2722.21 g/mol. Its IUPAC name is 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide.

Molecular Properties

Compound Name3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide
PubChem CID157105808
Molecular FormulaC112H83Cl10N11O27S11
Molecular Weight2722.21 g/mol
Exact Mass2714.93
IUPAC Name3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide
SMILESCc1ccc2[nH]c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.Cc1ccc2[nH]c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.O=C(Cc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O
InChIInChI=1S/C24H19Cl2N3O5S2.4C22H16Cl2N2O5S2.O2S/c25-18-10-13(9-16(30)12-36(33,34)22-8-7-21(26)35-22)1-6-20(18)29-23(31)17-5-4-15(27-14-2-3-14)11-19(17)28-24(29)32;2*1-12-2-4-17-15(8-12)21(28)26(22(29)25-17)18-5-3-13(10-16(18)23)9-14(27)11-33(30,31)20-7-6-19(24)32-20;2*1-12-2-4-15-17(8-12)25-22(29)26(21(15)28)18-5-3-13(10-16(18)23)9-14(27)11-33(30,31)20-7-6-19(24)32-20;1-3-2/h1,4-8,10-11,14,27H,2-3,9,12H2,(H,28,32);4*2-8,10H,9,11H2,1H3,(H,25,29);
InChIKeyAGHCIGQJMHRZMO-UHFFFAOYSA-N
XLogP19.30
TPSA576.52 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002722.21
LogP ≤ 519.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide?
The IUPAC name of 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide (CID 157105808) is 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide.
What is the SMILES notation for 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide?
The canonical SMILES for 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide is Cc1ccc2[nH]c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.Cc1ccc2[nH]c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.O=C(Cc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O.
What is the InChIKey of 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide?
The InChIKey is AGHCIGQJMHRZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O5S2.4C22H16Cl2N2O5S2.O2S/c25-18-10-13(9-16(30)12-36(33,34)22-8-7-21(26)35-22)1-6-20(18)29-23(31)17-5-4-15(27-14-2-3-14)11-19(17)28-24(29)32;2*1-12-2-4-17-15(8-12)21(28)26(22(29)25-17)18-5-3-13(10-16(18)23)9-14(27)11-33(30,31)20-7-6-19(24)32-20;2*1-12-2-4-15-17(8-12)25-22(29)26(21(15)28)18-5-3-13(10-16(18)23)9-14(27)11-33(30,31)20-7-6-19(24)32-20;1-3-2/h1,4-8,10-11,14,27H,2-3,9,12H2,(H,28,32);4*2-8,10H,9,11H2,1H3,(H,25,29);.
What are the key properties of 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide?
3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide has a molecular weight of 2722.21 g/mol, XLogP of 19.30, 32 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide is sourced from PubChem (CID 157105808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).