5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride

C71H78Cl5IN24O7S4 — CID 159620810

IUPAC5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride
SMILESCI.Cc1c2ccc(N(C)c3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc(N)cc2nn1C.Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C.Cc1ccc(N)cc1S(N)(=O)=O.Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl.Clc1ccnc(Cl)n1.O=CS(=O)(O)=C=S
InChIInChI=1S/C21H23N7O2S.C14H14ClN5.C13H12ClN5.C9H11N3.C7H10N2O2S.C4H2Cl2N2.C2H2O3S2.CH3I.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13;1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12;1-6-8-4-3-7(10)5-9(8)11-12(6)2;1-5-2-3-6(8)4-7(5)12(9,10)11;5-3-1-2-7-4(6)8-3;3-1-7(4,5)2-6;1-2;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);4-8H,1-3H3;3-7H,1-2H3,(H,15,16,17);3-5H,10H2,1-2H3;2-4H,8H2,1H3,(H2,9,10,11);1-2H;1H,(H,4,5);1H3;1H
InChIKeySMGKFBFSNCHMGN-UHFFFAOYSA-N
MW1812.00 g/mol
LogP14.01
Rot. Bonds11

About 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride

5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride (PubChem CID 159620810) has the molecular formula C71H78Cl5IN24O7S4 and a molecular weight of 1812.00 g/mol. Its IUPAC name is 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride
PubChem CID159620810
Molecular FormulaC71H78Cl5IN24O7S4
Molecular Weight1812.00 g/mol
Exact Mass1808.29
IUPAC Name5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride
SMILESCI.Cc1c2ccc(N(C)c3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc(N)cc2nn1C.Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C.Cc1ccc(N)cc1S(N)(=O)=O.Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl.Clc1ccnc(Cl)n1.O=CS(=O)(O)=C=S
InChIInChI=1S/C21H23N7O2S.C14H14ClN5.C13H12ClN5.C9H11N3.C7H10N2O2S.C4H2Cl2N2.C2H2O3S2.CH3I.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13;1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12;1-6-8-4-3-7(10)5-9(8)11-12(6)2;1-5-2-3-6(8)4-7(5)12(9,10)11;5-3-1-2-7-4(6)8-3;3-1-7(4,5)2-6;1-2;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);4-8H,1-3H3;3-7H,1-2H3,(H,15,16,17);3-5H,10H2,1-2H3;2-4H,8H2,1H3,(H2,9,10,11);1-2H;1H,(H,4,5);1H3;1H
InChIKeySMGKFBFSNCHMGN-UHFFFAOYSA-N
XLogP14.01
TPSA431.67 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001812.00
LogP ≤ 514.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride with MolForge

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Related Compounds

5-((4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-yl)(4-((2,3-dimethyl-2H-indazol-6-yl)amino)pyrimidin-2-yl)amino)-2-methylbenzenesulfonamide
CID 67228449
4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole
CID 158567272
5-amino-2-methylbenzenesulfonamide;5-[(4-chloropyrimidin-2-yl)amino]-2-methylbenzenesulfonamide;2,4-dichloropyrimidine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N,2,3-trimethylindazol-6-amine;hydrochloride
CID 160176254
CID 168320139
CID 168320139
Bis(3-[[4-[(2-benzyl-3-methylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide);dihydrochloride
CID 172873253
Pazopanib Impurity 60
CID 176481613
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-N-[5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylphenyl]sulfonyl-2-methylbenzenesulfonamide
CID 176481618
N-[4-[bis[5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylphenyl]methyl]phenyl]-5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 176481619
5-((4-((2,3-dimethyl-2H-indazol-6-yl)(4-((2,3-dimethyl-2H-indazol-6-yl)amino)pyrimidin-2-yl)amino)pyrimidin-2-yl)amino)-2-methylbenzenesulfonamide
CID 177835406

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride?
The IUPAC name of 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride (CID 159620810) is 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride.
What is the SMILES notation for 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride?
The canonical SMILES for 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride is CI.Cc1c2ccc(N(C)c3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc(N)cc2nn1C.Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C.Cc1ccc(N)cc1S(N)(=O)=O.Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl.Clc1ccnc(Cl)n1.O=CS(=O)(O)=C=S.
What is the InChIKey of 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride?
The InChIKey is SMGKFBFSNCHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S.C14H14ClN5.C13H12ClN5.C9H11N3.C7H10N2O2S.C4H2Cl2N2.C2H2O3S2.CH3I.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13;1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12;1-6-8-4-3-7(10)5-9(8)11-12(6)2;1-5-2-3-6(8)4-7(5)12(9,10)11;5-3-1-2-7-4(6)8-3;3-1-7(4,5)2-6;1-2;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);4-8H,1-3H3;3-7H,1-2H3,(H,15,16,17);3-5H,10H2,1-2H3;2-4H,8H2,1H3,(H2,9,10,11);1-2H;1H,(H,4,5);1H3;1H.
What are the key properties of 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride?
5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride has a molecular weight of 1812.00 g/mol, XLogP of 14.01, 11 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-λ6-sulfanyl]formaldehyde;iodomethane;hydrochloride is sourced from PubChem (CID 159620810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).