4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one

C111H97Cl2F3N12O16S4 — CID 159067368

About 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one

4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (PubChem CID 159067368) has the molecular formula C111H97Cl2F3N12O16S4 and a molecular weight of 2111.23 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.

Molecular Properties

• Compound Name: 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
• PubChem CID: 159067368
• Molecular Formula: C111H97Cl2F3N12O16S4
• Molecular Weight: 2111.23 g/mol
• Exact Mass: 2108.54
• IUPAC Name: 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
• SMILES: COc1ncc(-c2cccc(Cn3cc(S(=O)(=O)CC(=O)Cc4ccccn4)c4c(F)cc(F)cc43)c2)cn1.Cc1cc(CC(=O)C(Cc2cccc(Cl)c2)S(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccc(N5CCCCC5)nc4)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccccc3F)c3ccccc23)no1
• InChI: InChI=1S/C32H32N4O4S.C29H24Cl2N2O4S.C28H22F2N4O4S.C22H19FN2O4S/c1-23-16-27(34-40-23)18-28(37)22-41(38,39)31-21-36(30-11-4-3-10-29(30)31)20-24-8-7-9-25(17-24)26-12-13-32(33-19-26)35-14-5-2-6-15-35;1-19-12-24(32-37-19)16-27(34)28(15-20-6-4-8-22(30)13-20)38(35,36)29-18-33(26-11-3-2-10-25(26)29)17-21-7-5-9-23(31)14-21;1-38-28-32-13-20(14-33-28)19-6-4-5-18(9-19)15-34-16-26(27-24(30)10-21(29)11-25(27)34)39(36,37)17-23(35)12-22-7-2-3-8-31-22;1-15-10-17(24-29-15)11-18(26)14-30(27,28)22-13-25(21-9-5-3-7-19(21)22)12-16-6-2-4-8-20(16)23/h3-4,7-13,16-17,19,21H,2,5-6,14-15,18,20,22H2,1H3;2-14,18,28H,15-17H2,1H3;2-11,13-14,16H,12,15,17H2,1H3;2-10,13H,11-12,14H2,1H3
• InChIKey: JZFNGZBGTXYGRO-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 366.68 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2111.23
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?

The IUPAC name of 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (CID 159067368) is 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.

What is the SMILES notation for 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?

The canonical SMILES for 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is COc1ncc(-c2cccc(Cn3cc(S(=O)(=O)CC(=O)Cc4ccccn4)c4c(F)cc(F)cc43)c2)cn1.Cc1cc(CC(=O)C(Cc2cccc(Cl)c2)S(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccc(N5CCCCC5)nc4)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccccc3F)c3ccccc23)no1.

What is the InChIKey of 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?

The InChIKey is JZFNGZBGTXYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O4S.C29H24Cl2N2O4S.C28H22F2N4O4S.C22H19FN2O4S/c1-23-16-27(34-40-23)18-28(37)22-41(38,39)31-21-36(30-11-4-3-10-29(30)31)20-24-8-7-9-25(17-24)26-12-13-32(33-19-26)35-14-5-2-6-15-35;1-19-12-24(32-37-19)16-27(34)28(15-20-6-4-8-22(30)13-20)38(35,36)29-18-33(26-11-3-2-10-25(26)29)17-21-7-5-9-23(31)14-21;1-38-28-32-13-20(14-33-28)19-6-4-5-18(9-19)15-34-16-26(27-24(30)10-21(29)11-25(27)34)39(36,37)17-23(35)12-22-7-2-3-8-31-22;1-15-10-17(24-29-15)11-18(26)14-30(27,28)22-13-25(21-9-5-3-7-19(21)22)12-16-6-2-4-8-20(16)23/h3-4,7-13,16-17,19,21H,2,5-6,14-15,18,20,22H2,1H3;2-14,18,28H,15-17H2,1H3;2-11,13-14,16H,12,15,17H2,1H3;2-10,13H,11-12,14H2,1H3.

What are the key properties of 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?

4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one has a molecular weight of 2111.23 g/mol, XLogP of 20.24, 34 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one;1-[4,6-difluoro-1-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(6-piperidin-1-yl-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is sourced from PubChem (CID 159067368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).