1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one

C101H74Br3F8N9O15S4 — CID 159667518

About 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one

1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one (PubChem CID 159667518) has the molecular formula C101H74Br3F8N9O15S4 and a molecular weight of 2173.71 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
• PubChem CID: 159667518
• Molecular Formula: C101H74Br3F8N9O15S4
• Molecular Weight: 2173.71 g/mol
• Exact Mass: 2169.16
• IUPAC Name: 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
• SMILES: Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cccnc4)c3)c3cc(F)cc(F)c23)no1.O=C(CCc1ccccn1)CS(=O)(=O)c1cn(Cc2cccc(Br)c2)c2cc(F)cc(F)c12.O=C(Cc1nc2ccccc2o1)CS(=O)(=O)c1cn(Cc2cccc(Br)c2)c2cc(F)cc(F)c12.O=C(Cc1noc2ccccc12)CS(=O)(=O)c1cn(Cc2cccc(Br)c2)c2cc(F)cc(F)c12
• InChI: InChI=1S/C27H21F2N3O4S.2C25H17BrF2N2O4S.C24H19BrF2N2O3S/c1-17-8-22(31-36-17)12-23(33)16-37(34,35)26-15-32(25-11-21(28)10-24(29)27(25)26)14-18-4-2-5-19(9-18)20-6-3-7-30-13-20;26-16-5-3-4-15(8-16)12-30-13-23(25-19(28)9-17(27)10-21(25)30)35(32,33)14-18(31)11-24-29-20-6-1-2-7-22(20)34-24;26-16-5-3-4-15(8-16)12-30-13-24(25-20(28)9-17(27)10-22(25)30)35(32,33)14-18(31)11-21-19-6-1-2-7-23(19)34-29-21;25-17-5-3-4-16(10-17)13-29-14-23(24-21(27)11-18(26)12-22(24)29)33(31,32)15-20(30)8-7-19-6-1-2-9-28-19/h2-11,13,15H,12,14,16H2,1H3;2*1-10,13H,11-12,14H2;1-6,9-12,14H,7-8,13,15H2
• InChIKey: MTPGLRAQXIFDRZ-UHFFFAOYSA-N
• XLogP: 20.93
• TPSA: 328.43 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.71
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one?

The IUPAC name of 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one (CID 159667518) is 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one.

What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one?

The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one is Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cccnc4)c3)c3cc(F)cc(F)c23)no1.O=C(CCc1ccccn1)CS(=O)(=O)c1cn(Cc2cccc(Br)c2)c2cc(F)cc(F)c12.O=C(Cc1nc2ccccc2o1)CS(=O)(=O)c1cn(Cc2cccc(Br)c2)c2cc(F)cc(F)c12.O=C(Cc1noc2ccccc12)CS(=O)(=O)c1cn(Cc2cccc(Br)c2)c2cc(F)cc(F)c12.

What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one?

The InChIKey is MTPGLRAQXIFDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3O4S.2C25H17BrF2N2O4S.C24H19BrF2N2O3S/c1-17-8-22(31-36-17)12-23(33)16-37(34,35)26-15-32(25-11-21(28)10-24(29)27(25)26)14-18-4-2-5-19(9-18)20-6-3-7-30-13-20;26-16-5-3-4-15(8-16)12-30-13-23(25-19(28)9-17(27)10-21(25)30)35(32,33)14-18(31)11-24-29-20-6-1-2-7-22(20)34-24;26-16-5-3-4-15(8-16)12-30-13-24(25-20(28)9-17(27)10-22(25)30)35(32,33)14-18(31)11-21-19-6-1-2-7-23(19)34-29-21;25-17-5-3-4-16(10-17)13-29-14-23(24-21(27)11-18(26)12-22(24)29)33(31,32)15-20(30)8-7-19-6-1-2-9-28-19/h2-11,13,15H,12,14,16H2,1H3;2*1-10,13H,11-12,14H2;1-6,9-12,14H,7-8,13,15H2.

What are the key properties of 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one?

1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one has a molecular weight of 2173.71 g/mol, XLogP of 20.93, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2-benzoxazol-3-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-(1,3-benzoxazol-2-yl)-3-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonylpropan-2-one;1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-4-pyridin-2-ylbutan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one is sourced from PubChem (CID 159667518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).