2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide

C100H112ClF3N16O12S4 — CID 161003502

About 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide

2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide (PubChem CID 161003502) has the molecular formula C100H112ClF3N16O12S4 and a molecular weight of 1950.81 g/mol. Its IUPAC name is 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
• PubChem CID: 161003502
• Molecular Formula: C100H112ClF3N16O12S4
• Molecular Weight: 1950.81 g/mol
• Exact Mass: 1948.72
• IUPAC Name: 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
• SMILES: C.C.Cc1ccc(C(=O)NC2Cc3ccccc3C23CCN(S(=O)(=O)c2cn(C)cn2)CC3)c(F)c1.Cc1ccc(C(=O)NC2Cc3ccccc3C23CCN(S(=O)(=O)c2cn(C)cn2)CC3)cc1.Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2CC3NC(=O)c2c(F)cccc2F)c1.Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2CC3NC(=O)c2ccccc2Cl)c1
• InChI: InChI=1S/C25H27FN4O3S.C25H28N4O3S.C24H25ClN4O3S.C24H24F2N4O3S.2CH4/c1-17-7-8-19(21(26)13-17)24(31)28-22-14-18-5-3-4-6-20(18)25(22)9-11-30(12-10-25)34(32,33)23-15-29(2)16-27-23;1-18-7-9-19(10-8-18)24(30)27-22-15-20-5-3-4-6-21(20)25(22)11-13-29(14-12-25)33(31,32)23-16-28(2)17-26-23;1-28-15-22(26-16-28)33(31,32)29-12-10-24(11-13-29)19-8-4-2-6-17(19)14-21(24)27-23(30)18-7-3-5-9-20(18)25;1-29-14-21(27-15-29)34(32,33)30-11-9-24(10-12-30)17-6-3-2-5-16(17)13-20(24)28-23(31)22-18(25)7-4-8-19(22)26;;/h3-8,13,15-16,22H,9-12,14H2,1-2H3,(H,28,31);3-10,16-17,22H,11-15H2,1-2H3,(H,27,30);2-9,15-16,21H,10-14H2,1H3,(H,27,30);2-8,14-15,20H,9-13H2,1H3,(H,28,31);2*1H4
• InChIKey: TWESHTDAUJEXSM-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 337.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.81
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?

The IUPAC name of 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide (CID 161003502) is 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?

The canonical SMILES for 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide is C.C.Cc1ccc(C(=O)NC2Cc3ccccc3C23CCN(S(=O)(=O)c2cn(C)cn2)CC3)c(F)c1.Cc1ccc(C(=O)NC2Cc3ccccc3C23CCN(S(=O)(=O)c2cn(C)cn2)CC3)cc1.Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2CC3NC(=O)c2c(F)cccc2F)c1.Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2CC3NC(=O)c2ccccc2Cl)c1.

What is the InChIKey of 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?

The InChIKey is TWESHTDAUJEXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3S.C25H28N4O3S.C24H25ClN4O3S.C24H24F2N4O3S.2CH4/c1-17-7-8-19(21(26)13-17)24(31)28-22-14-18-5-3-4-6-20(18)25(22)9-11-30(12-10-25)34(32,33)23-15-29(2)16-27-23;1-18-7-9-19(10-8-18)24(30)27-22-15-20-5-3-4-6-21(20)25(22)11-13-29(14-12-25)33(31,32)23-16-28(2)17-26-23;1-28-15-22(26-16-28)33(31,32)29-12-10-24(11-13-29)19-8-4-2-6-17(19)14-21(24)27-23(30)18-7-3-5-9-20(18)25;1-29-14-21(27-15-29)34(32,33)30-11-9-24(10-12-30)17-6-3-2-5-16(17)13-20(24)28-23(31)22-18(25)7-4-8-19(22)26;;/h3-8,13,15-16,22H,9-12,14H2,1-2H3,(H,28,31);3-10,16-17,22H,11-15H2,1-2H3,(H,27,30);2-9,15-16,21H,10-14H2,1H3,(H,27,30);2-8,14-15,20H,9-13H2,1H3,(H,28,31);2*1H4.

What are the key properties of 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?

2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide has a molecular weight of 1950.81 g/mol, XLogP of 12.95, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2,6-difluoro-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;2-fluoro-4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide;methane;4-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide is sourced from PubChem (CID 161003502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).