1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

C131H95BrCl13F3N26O26S13 — CID 159104818

IUPAC1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESC/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)ccc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4Cl)ccc3cc2N1.CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Br.CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Cl.O=C(Nc1ccc(-n2ccc3cc(NC4CC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCC(F)(F)F)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H18Cl2N4O4S2.C22H15Cl2F3N4O4S2.C22H15Cl2N5O6S3.C22H17Cl2N5O4S2.C21H15BrCl2N4O4S2.C21H15Cl3N4O4S2/c24-18-12-16(27-23(31)28-35(32,33)21-8-7-20(25)34-21)4-6-19(18)29-10-9-13-11-15(26-14-1-2-14)3-5-17(13)22(29)30;23-16-10-14(29-21(33)30-37(34,35)19-6-5-18(24)36-19)2-4-17(16)31-8-7-12-9-13(28-11-22(25,26)27)1-3-15(12)20(31)32;1-11-25-16-8-12-6-7-29(21(30)14(12)10-18(16)37(32,33)27-11)17-3-2-13(9-15(17)23)26-22(31)28-38(34,35)20-5-4-19(24)36-20;1-26-20(25)13-2-4-15-12(10-13)8-9-29(21(15)30)17-5-3-14(11-16(17)23)27-22(31)28-35(32,33)19-7-6-18(24)34-19;2*1-25-16-8-11-6-7-28(20(29)13(11)10-14(16)22)17-3-2-12(9-15(17)23)26-21(30)27-34(31,32)19-5-4-18(24)33-19/h3-12,14,26H,1-2H2,(H2,27,28,31);1-10,28H,11H2,(H2,29,30,33);2-10H,1H3,(H,25,27)(H2,26,28,31);2-11H,1H3,(H2,25,26)(H2,27,28,31);2*2-10,25H,1H3,(H2,26,27,30)
InChIKeyKDSZLPLKNKUDRX-UHFFFAOYSA-N
MW3464.01 g/mol
LogP31.13
Rot. Bonds31

About 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 159104818) has the molecular formula C131H95BrCl13F3N26O26S13 and a molecular weight of 3464.01 g/mol. Its IUPAC name is 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
PubChem CID159104818
Molecular FormulaC131H95BrCl13F3N26O26S13
Molecular Weight3464.01 g/mol
Exact Mass3453.84
IUPAC Name1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESC/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)ccc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4Cl)ccc3cc2N1.CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Br.CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Cl.O=C(Nc1ccc(-n2ccc3cc(NC4CC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCC(F)(F)F)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H18Cl2N4O4S2.C22H15Cl2F3N4O4S2.C22H15Cl2N5O6S3.C22H17Cl2N5O4S2.C21H15BrCl2N4O4S2.C21H15Cl3N4O4S2/c24-18-12-16(27-23(31)28-35(32,33)21-8-7-20(25)34-21)4-6-19(18)29-10-9-13-11-15(26-14-1-2-14)3-5-17(13)22(29)30;23-16-10-14(29-21(33)30-37(34,35)19-6-5-18(24)36-19)2-4-17(16)31-8-7-12-9-13(28-11-22(25,26)27)1-3-15(12)20(31)32;1-11-25-16-8-12-6-7-29(21(30)14(12)10-18(16)37(32,33)27-11)17-3-2-13(9-15(17)23)26-22(31)28-38(34,35)20-5-4-19(24)36-20;1-26-20(25)13-2-4-15-12(10-13)8-9-29(21(15)30)17-5-3-14(11-16(17)23)27-22(31)28-35(32,33)19-7-6-18(24)34-19;2*1-25-16-8-11-6-7-28(20(29)13(11)10-14(16)22)17-3-2-12(9-15(17)23)26-21(30)27-34(31,32)19-5-4-18(24)33-19/h3-12,14,26H,1-2H2,(H2,27,28,31);1-10,28H,11H2,(H2,29,30,33);2-10H,1H3,(H,25,27)(H2,26,28,31);2-11H,1H3,(H2,25,26)(H2,27,28,31);2*2-10,25H,1H3,(H2,26,27,30)
InChIKeyKDSZLPLKNKUDRX-UHFFFAOYSA-N
XLogP31.13
TPSA728.65 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003464.01
LogP ≤ 531.13
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The IUPAC name of 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 159104818) is 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)ccc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4Cl)ccc3cc2N1.CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Br.CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Cl.O=C(Nc1ccc(-n2ccc3cc(NC4CC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCC(F)(F)F)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The InChIKey is KDSZLPLKNKUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4S2.C22H15Cl2F3N4O4S2.C22H15Cl2N5O6S3.C22H17Cl2N5O4S2.C21H15BrCl2N4O4S2.C21H15Cl3N4O4S2/c24-18-12-16(27-23(31)28-35(32,33)21-8-7-20(25)34-21)4-6-19(18)29-10-9-13-11-15(26-14-1-2-14)3-5-17(13)22(29)30;23-16-10-14(29-21(33)30-37(34,35)19-6-5-18(24)36-19)2-4-17(16)31-8-7-12-9-13(28-11-22(25,26)27)1-3-15(12)20(31)32;1-11-25-16-8-12-6-7-29(21(30)14(12)10-18(16)37(32,33)27-11)17-3-2-13(9-15(17)23)26-22(31)28-38(34,35)20-5-4-19(24)36-20;1-26-20(25)13-2-4-15-12(10-13)8-9-29(21(15)30)17-5-3-14(11-16(17)23)27-22(31)28-35(32,33)19-7-6-18(24)34-19;2*1-25-16-8-11-6-7-28(20(29)13(11)10-14(16)22)17-3-2-12(9-15(17)23)26-21(30)27-34(31,32)19-5-4-18(24)33-19/h3-12,14,26H,1-2H2,(H2,27,28,31);1-10,28H,11H2,(H2,29,30,33);2-10H,1H3,(H,25,27)(H2,26,28,31);2-11H,1H3,(H2,25,26)(H2,27,28,31);2*2-10,25H,1H3,(H2,26,27,30).
What are the key properties of 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 3464.01 g/mol, XLogP of 31.13, 31 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-bromo-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 159104818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).