1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one

C120H104Cl3FN12O20S5 — CID 157475461

About 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one

1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one (PubChem CID 157475461) has the molecular formula C120H104Cl3FN12O20S5 and a molecular weight of 2319.91 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one.

Molecular Properties

• Compound Name: 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one
• PubChem CID: 157475461
• Molecular Formula: C120H104Cl3FN12O20S5
• Molecular Weight: 2319.91 g/mol
• Exact Mass: 2316.51
• IUPAC Name: 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one
• SMILES: Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccccc4)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cnn(C)c4)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1
• InChI: InChI=1S/C28H24N2O4S.C26H24N4O4S.C22H18Cl2N2O4S.C22H19ClN2O4S.C22H19FN2O4S/c1-20-14-24(29-34-20)16-25(31)19-35(32,33)28-18-30(27-13-6-5-12-26(27)28)17-21-8-7-11-23(15-21)22-9-3-2-4-10-22;1-18-10-22(28-34-18)12-23(31)17-35(32,33)26-16-30(25-9-4-3-8-24(25)26)14-19-6-5-7-20(11-19)21-13-27-29(2)15-21;1-14-8-16(25-30-14)10-17(27)13-31(28,29)22-12-26(21-5-3-2-4-18(21)22)11-15-6-7-19(23)20(24)9-15;2*1-15-9-18(24-29-15)11-19(26)14-30(27,28)22-13-25(21-8-3-2-7-20(21)22)12-16-5-4-6-17(23)10-16/h2-15,18H,16-17,19H2,1H3;3-11,13,15-16H,12,14,17H2,1-2H3;2-9,12H,10-11,13H2,1H3;2*2-10,13H,11-12,14H2,1H3
• InChIKey: BVNODWNXOFTVTA-UHFFFAOYSA-N
• XLogP: 22.02
• TPSA: 428.67 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2319.91
LogP ≤ 5	22.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one?

The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one (CID 157475461) is 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one.

What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one?

The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one is Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccccc4)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cnn(C)c4)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1.

What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one?

The InChIKey is BVNODWNXOFTVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4S.C26H24N4O4S.C22H18Cl2N2O4S.C22H19ClN2O4S.C22H19FN2O4S/c1-20-14-24(29-34-20)16-25(31)19-35(32,33)28-18-30(27-13-6-5-12-26(27)28)17-21-8-7-11-23(15-21)22-9-3-2-4-10-22;1-18-10-22(28-34-18)12-23(31)17-35(32,33)26-16-30(25-9-4-3-8-24(25)26)14-19-6-5-7-20(11-19)21-13-27-29(2)15-21;1-14-8-16(25-30-14)10-17(27)13-31(28,29)22-12-26(21-5-3-2-4-18(21)22)11-15-6-7-19(23)20(24)9-15;2*1-15-9-18(24-29-15)11-19(26)14-30(27,28)22-13-25(21-8-3-2-7-20(21)22)12-16-5-4-6-17(23)10-16/h2-15,18H,16-17,19H2,1H3;3-11,13,15-16H,12,14,17H2,1-2H3;2-9,12H,10-11,13H2,1H3;2*2-10,13H,11-12,14H2,1H3.

What are the key properties of 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one?

1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one has a molecular weight of 2319.91 g/mol, XLogP of 22.02, 37 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3-chlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[(3-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-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[(3-phenylphenyl)methyl]indol-3-yl]sulfonylpropan-2-one is sourced from PubChem (CID 157475461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).