1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole

C89H94Cl2F10N10O12S4 — CID 158890769

About 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole

1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole (PubChem CID 158890769) has the molecular formula C89H94Cl2F10N10O12S4 and a molecular weight of 1884.94 g/mol. Its IUPAC name is 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole.

Molecular Properties

• Compound Name: 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole
• PubChem CID: 158890769
• Molecular Formula: C89H94Cl2F10N10O12S4
• Molecular Weight: 1884.94 g/mol
• Exact Mass: 1882.52
• IUPAC Name: 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole
• SMILES: CCN1CCN(c2cc(S(=O)(=O)n3cc(C(F)F)c4ccc(C)cc43)ccc2OC)CC1.COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(Cl)c(Cl)cc32)cc1N1CCCCC1.COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(F)c(F)cc32)cc1N1CCCCC1.COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(C)cc32)cc1N1CCN(C2CC2)CC1
• InChI: InChI=1S/C24H27F2N3O3S.C23H27F2N3O3S.C21H20Cl2F2N2O3S.C21H20F4N2O3S/c1-16-3-7-19-20(24(25)26)15-29(21(19)13-16)33(30,31)18-6-8-23(32-2)22(14-18)28-11-9-27(10-12-28)17-4-5-17;1-4-26-9-11-27(12-10-26)21-14-17(6-8-22(21)31-3)32(29,30)28-15-19(23(24)25)18-7-5-16(2)13-20(18)28;2*1-30-20-6-5-13(9-19(20)26-7-3-2-4-8-26)31(28,29)27-12-15(21(24)25)14-10-16(22)17(23)11-18(14)27/h3,6-8,13-15,17,24H,4-5,9-12H2,1-2H3;5-8,13-15,23H,4,9-12H2,1-3H3;2*5-6,9-12,21H,2-4,7-8H2,1H3
• InChIKey: JEEXGHGNPJWTSM-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 212.64 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.94
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole?

The IUPAC name of 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole (CID 158890769) is 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole.

What is the SMILES notation for 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole?

The canonical SMILES for 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole is CCN1CCN(c2cc(S(=O)(=O)n3cc(C(F)F)c4ccc(C)cc43)ccc2OC)CC1.COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(Cl)c(Cl)cc32)cc1N1CCCCC1.COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(F)c(F)cc32)cc1N1CCCCC1.COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(C)cc32)cc1N1CCN(C2CC2)CC1.

What is the InChIKey of 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole?

The InChIKey is JEEXGHGNPJWTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3S.C23H27F2N3O3S.C21H20Cl2F2N2O3S.C21H20F4N2O3S/c1-16-3-7-19-20(24(25)26)15-29(21(19)13-16)33(30,31)18-6-8-23(32-2)22(14-18)28-11-9-27(10-12-28)17-4-5-17;1-4-26-9-11-27(12-10-26)21-14-17(6-8-22(21)31-3)32(29,30)28-15-19(23(24)25)18-7-5-16(2)13-20(18)28;2*1-30-20-6-5-13(9-19(20)26-7-3-2-4-8-26)31(28,29)27-12-15(21(24)25)14-10-16(22)17(23)11-18(14)27/h3,6-8,13-15,17,24H,4-5,9-12H2,1-2H3;5-8,13-15,23H,4,9-12H2,1-3H3;2*5-6,9-12,21H,2-4,7-8H2,1H3.

What are the key properties of 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole?

1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole has a molecular weight of 1884.94 g/mol, XLogP of 19.91, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole is sourced from PubChem (CID 158890769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).