1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea

C139H115Cl3F5N39O33S14 — CID 159741903

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea
SMILESCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)ccc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C)ccc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cccs4)cn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cccs4)c(OC)n3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(c1)CCN(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O
InChIInChI=1S/C22H16ClF3N4O4S2.C22H19ClN4O4S2.C21H18ClFN4O4S2.C19H15FN6O5S2.C19H17N7O6S2.2C18H15N7O5S2/c1-27-13-2-4-15-12(10-13)8-9-30(20(15)31)17-5-3-14(11-16(17)22(24,25)26)28-21(32)29-36(33,34)19-7-6-18(23)35-19;1-13-11-16(25-22(29)26-33(30,31)20-8-7-19(23)32-20)4-6-18(13)27-10-9-14-12-15(24-2)3-5-17(14)21(27)28;1-24-13-2-4-15-12(10-13)8-9-27(20(15)28)17-5-3-14(11-16(17)23)25-21(29)26-33(30,31)19-7-6-18(22)32-19;1-21-10-4-5-12-14(8-10)24-19(29)26(17(12)27)16-13(20)7-11(9-22-16)23-18(28)25-33(30,31)15-3-2-6-32-15;1-20-10-5-6-11-12(8-10)23-19(29)26(16(11)27)17-21-9-13(15(24-17)32-2)22-18(28)25-34(30,31)14-4-3-7-33-14;1-19-10-4-5-11-12(9-10)20-18(28)25(16(11)26)14-7-6-13(22-23-14)21-17(27)24-32(29,30)15-3-2-8-31-15;1-19-10-4-5-11-12(7-10)22-18(28)25(16(11)26)14-9-20-13(8-21-14)23-17(27)24-32(29,30)15-3-2-6-31-15/h2-11,27H,1H3,(H2,28,29,32);3-12,24H,1-2H3,(H2,25,26,29);2-7,10-11,24H,8-9H2,1H3,(H2,25,26,29);2-9,21H,1H3,(H,24,29)(H2,23,25,28);3-9,20H,1-2H3,(H,23,29)(H2,22,25,28);2-9,19H,1H3,(H,20,28)(H2,21,22,24,27);2-9,19H,1H3,(H,22,28)(H2,20,23,24,27)
InChIKeyNCOGTVSEUWZUKP-UHFFFAOYSA-N
MW3509.98 g/mol
LogP19.22
Rot. Bonds36

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea (PubChem CID 159741903) has the molecular formula C139H115Cl3F5N39O33S14 and a molecular weight of 3509.98 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea
PubChem CID159741903
Molecular FormulaC139H115Cl3F5N39O33S14
Molecular Weight3509.98 g/mol
Exact Mass3505.36
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea
SMILESCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)ccc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C)ccc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cccs4)cn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cccs4)c(OC)n3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(c1)CCN(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O
InChIInChI=1S/C22H16ClF3N4O4S2.C22H19ClN4O4S2.C21H18ClFN4O4S2.C19H15FN6O5S2.C19H17N7O6S2.2C18H15N7O5S2/c1-27-13-2-4-15-12(10-13)8-9-30(20(15)31)17-5-3-14(11-16(17)22(24,25)26)28-21(32)29-36(33,34)19-7-6-18(23)35-19;1-13-11-16(25-22(29)26-33(30,31)20-8-7-19(23)32-20)4-6-18(13)27-10-9-14-12-15(24-2)3-5-17(14)21(27)28;1-24-13-2-4-15-12(10-13)8-9-27(20(15)28)17-5-3-14(11-16(17)23)25-21(29)26-33(30,31)19-7-6-18(22)32-19;1-21-10-4-5-12-14(8-10)24-19(29)26(17(12)27)16-13(20)7-11(9-22-16)23-18(28)25-33(30,31)15-3-2-6-32-15;1-20-10-5-6-11-12(8-10)23-19(29)26(16(11)27)17-21-9-13(15(24-17)32-2)22-18(28)25-34(30,31)14-4-3-7-33-14;1-19-10-4-5-11-12(9-10)20-18(28)25(16(11)26)14-7-6-13(22-23-14)21-17(27)24-32(29,30)15-3-2-8-31-15;1-19-10-4-5-11-12(7-10)22-18(28)25(16(11)26)14-9-20-13(8-21-14)23-17(27)24-32(29,30)15-3-2-6-31-15/h2-11,27H,1H3,(H2,28,29,32);3-12,24H,1-2H3,(H2,25,26,29);2-7,10-11,24H,8-9H2,1H3,(H2,25,26,29);2-9,21H,1H3,(H,24,29)(H2,23,25,28);3-9,20H,1-2H3,(H,23,29)(H2,22,25,28);2-9,19H,1H3,(H,20,28)(H2,21,22,24,27);2-9,19H,1H3,(H,22,28)(H2,20,23,24,27)
InChIKeyNCOGTVSEUWZUKP-UHFFFAOYSA-N
XLogP19.22
TPSA994.31 Ų
H-Bond Donors25
H-Bond Acceptors60
Rotatable Bonds36
Heavy Atoms233
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003509.98
LogP ≤ 519.22
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1060

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea (CID 159741903) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea is CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)ccc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C)ccc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cccs4)cn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cccs4)c(OC)n3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(c1)CCN(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea?
The InChIKey is NCOGTVSEUWZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O4S2.C22H19ClN4O4S2.C21H18ClFN4O4S2.C19H15FN6O5S2.C19H17N7O6S2.2C18H15N7O5S2/c1-27-13-2-4-15-12(10-13)8-9-30(20(15)31)17-5-3-14(11-16(17)22(24,25)26)28-21(32)29-36(33,34)19-7-6-18(23)35-19;1-13-11-16(25-22(29)26-33(30,31)20-8-7-19(23)32-20)4-6-18(13)27-10-9-14-12-15(24-2)3-5-17(14)21(27)28;1-24-13-2-4-15-12(10-13)8-9-27(20(15)28)17-5-3-14(11-16(17)23)25-21(29)26-33(30,31)19-7-6-18(22)32-19;1-21-10-4-5-12-14(8-10)24-19(29)26(17(12)27)16-13(20)7-11(9-22-16)23-18(28)25-33(30,31)15-3-2-6-32-15;1-20-10-5-6-11-12(8-10)23-19(29)26(16(11)27)17-21-9-13(15(24-17)32-2)22-18(28)25-34(30,31)14-4-3-7-33-14;1-19-10-4-5-11-12(9-10)20-18(28)25(16(11)26)14-7-6-13(22-23-14)21-17(27)24-32(29,30)15-3-2-8-31-15;1-19-10-4-5-11-12(7-10)22-18(28)25(16(11)26)14-9-20-13(8-21-14)23-17(27)24-32(29,30)15-3-2-6-31-15/h2-11,27H,1H3,(H2,28,29,32);3-12,24H,1-2H3,(H2,25,26,29);2-7,10-11,24H,8-9H2,1H3,(H2,25,26,29);2-9,21H,1H3,(H,24,29)(H2,23,25,28);3-9,20H,1-2H3,(H,23,29)(H2,22,25,28);2-9,19H,1H3,(H,20,28)(H2,21,22,24,27);2-9,19H,1H3,(H,22,28)(H2,20,23,24,27).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea?
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea has a molecular weight of 3509.98 g/mol, XLogP of 19.22, 36 rotatable bonds, 25 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]-3-thiophen-2-ylsulfonylurea is sourced from PubChem (CID 159741903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).