6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole

C98H92Cl2F10N12O8S4 — CID 158105204

IUPAC6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole
SMILESCc1c(N2CCN(C)CC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(Cl)cc32)c2ccccc12.Cc1c(N2CCN(C)CC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(F)cc32)c2ccccc12.Cc1c(N2CCNCC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(Cl)cc32)c2ccccc12.Cc1c(N2CCNCC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(F)cc32)c2ccccc12
InChIInChI=1S/C25H24ClF2N3O2S.C25H24F3N3O2S.C24H22ClF2N3O2S.C24H22F3N3O2S/c2*1-16-18-5-3-4-6-20(18)24(14-22(16)30-11-9-29(2)10-12-30)34(32,33)31-15-21(25(27)28)19-8-7-17(26)13-23(19)31;2*1-15-17-4-2-3-5-19(17)23(13-21(15)29-10-8-28-9-11-29)33(31,32)30-14-20(24(26)27)18-7-6-16(25)12-22(18)30/h2*3-8,13-15,25H,9-12H2,1-2H3;2*2-7,12-14,24,28H,8-11H2,1H3
InChIKeyFPTAJUMJZWAGQV-UHFFFAOYSA-N
MW1955.04 g/mol
LogP21.02
Rot. Bonds16

About 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole

6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole (PubChem CID 158105204) has the molecular formula C98H92Cl2F10N12O8S4 and a molecular weight of 1955.04 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole
PubChem CID158105204
Molecular FormulaC98H92Cl2F10N12O8S4
Molecular Weight1955.04 g/mol
Exact Mass1952.53
IUPAC Name6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole
SMILESCc1c(N2CCN(C)CC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(Cl)cc32)c2ccccc12.Cc1c(N2CCN(C)CC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(F)cc32)c2ccccc12.Cc1c(N2CCNCC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(Cl)cc32)c2ccccc12.Cc1c(N2CCNCC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(F)cc32)c2ccccc12
InChIInChI=1S/C25H24ClF2N3O2S.C25H24F3N3O2S.C24H22ClF2N3O2S.C24H22F3N3O2S/c2*1-16-18-5-3-4-6-20(18)24(14-22(16)30-11-9-29(2)10-12-30)34(32,33)31-15-21(25(27)28)19-8-7-17(26)13-23(19)31;2*1-15-17-4-2-3-5-19(17)23(13-21(15)29-10-8-28-9-11-29)33(31,32)30-14-20(24(26)27)18-7-6-16(25)12-22(18)30/h2*3-8,13-15,25H,9-12H2,1-2H3;2*2-7,12-14,24,28H,8-11H2,1H3
InChIKeyFPTAJUMJZWAGQV-UHFFFAOYSA-N
XLogP21.02
TPSA199.78 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001955.04
LogP ≤ 521.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole?
The IUPAC name of 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole (CID 158105204) is 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole is Cc1c(N2CCN(C)CC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(Cl)cc32)c2ccccc12.Cc1c(N2CCN(C)CC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(F)cc32)c2ccccc12.Cc1c(N2CCNCC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(Cl)cc32)c2ccccc12.Cc1c(N2CCNCC2)cc(S(=O)(=O)n2cc(C(F)F)c3ccc(F)cc32)c2ccccc12.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole?
The InChIKey is FPTAJUMJZWAGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N3O2S.C25H24F3N3O2S.C24H22ClF2N3O2S.C24H22F3N3O2S/c2*1-16-18-5-3-4-6-20(18)24(14-22(16)30-11-9-29(2)10-12-30)34(32,33)31-15-21(25(27)28)19-8-7-17(26)13-23(19)31;2*1-15-17-4-2-3-5-19(17)23(13-21(15)29-10-8-28-9-11-29)33(31,32)30-14-20(24(26)27)18-7-6-16(25)12-22(18)30/h2*3-8,13-15,25H,9-12H2,1-2H3;2*2-7,12-14,24,28H,8-11H2,1H3.
What are the key properties of 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole?
6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole has a molecular weight of 1955.04 g/mol, XLogP of 21.02, 16 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(difluoromethyl)-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;6-chloro-3-(difluoromethyl)-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole;3-(difluoromethyl)-6-fluoro-1-[4-methyl-3-(4-methylpiperazin-1-yl)naphthalen-1-yl]sulfonylindole;3-(difluoromethyl)-6-fluoro-1-(4-methyl-3-piperazin-1-ylnaphthalen-1-yl)sulfonylindole is sourced from PubChem (CID 158105204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).