1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate

C139H150Cl11F2N25O10S2 — CID 163793084

About 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate (PubChem CID 163793084) has the molecular formula C139H150Cl11F2N25O10S2 and a molecular weight of 2823.01 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate.

Molecular Properties

• Compound Name: 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
• PubChem CID: 163793084
• Molecular Formula: C139H150Cl11F2N25O10S2
• Molecular Weight: 2823.01 g/mol
• Exact Mass: 2815.80
• IUPAC Name: 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
• SMILES: CC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)cc2cc[nH]c12.CC(C)c1cc(Cl)cc2ccn(C)c12.CC(C)c1cc(Cl)ccc1-c1cccnc1.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)nn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.CCOC(=O)c1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.CCOC(=O)c1cn(-c2ccc(Cl)cc2C(C)C)nn1
• InChI: InChI=1S/C14H15ClFN3O2.C14H16ClN3O2.C14H14ClN.2C13H13ClN2.C12H13ClFN3O2S.C12H14ClN3O2S.C12H12ClN3O2.C12H14ClN3.C12H14ClN.C11H12ClN/c1-4-21-14(20)10-7-19(18-17-10)11-6-5-9(15)13(16)12(11)8(2)3;1-4-20-14(19)12-8-18(17-16-12)13-6-5-10(15)7-11(13)9(2)3;1-10(2)14-8-12(15)5-6-13(14)11-4-3-7-16-9-11;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-7(2)9-5-8(13)3-4-11(9)16-6-10(12(17)18)14-15-16;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-7-10(13)6-9-4-5-14(3)12(9)11;1-7(2)10-6-9(12)5-8-3-4-13-11(8)10/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;3-10H,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H,17,18);4-8H,1-3H3;4-8H,1-3H3;3-7,13H,1-2H3
• InChIKey: MYMZTZYIKCPPDS-UHFFFAOYSA-N
• XLogP: 37.88
• TPSA: 427.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2823.01
LogP ≤ 5	37.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate?

The IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate (CID 163793084) is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate.

What is the SMILES notation for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate?

The canonical SMILES for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate is CC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)cc2cc[nH]c12.CC(C)c1cc(Cl)cc2ccn(C)c12.CC(C)c1cc(Cl)ccc1-c1cccnc1.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)nn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.CCOC(=O)c1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.CCOC(=O)c1cn(-c2ccc(Cl)cc2C(C)C)nn1.

What is the InChIKey of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate?

The InChIKey is MYMZTZYIKCPPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2.C14H16ClN3O2.C14H14ClN.2C13H13ClN2.C12H13ClFN3O2S.C12H14ClN3O2S.C12H12ClN3O2.C12H14ClN3.C12H14ClN.C11H12ClN/c1-4-21-14(20)10-7-19(18-17-10)11-6-5-9(15)13(16)12(11)8(2)3;1-4-20-14(19)12-8-18(17-16-12)13-6-5-10(15)7-11(13)9(2)3;1-10(2)14-8-12(15)5-6-13(14)11-4-3-7-16-9-11;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-7(2)9-5-8(13)3-4-11(9)16-6-10(12(17)18)14-15-16;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-7-10(13)6-9-4-5-14(3)12(9)11;1-7(2)10-6-9(12)5-8-3-4-13-11(8)10/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;3-10H,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H,17,18);4-8H,1-3H3;4-8H,1-3H3;3-7,13H,1-2H3.

What are the key properties of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate?

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate has a molecular weight of 2823.01 g/mol, XLogP of 37.88, 27 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate is sourced from PubChem (CID 163793084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).