3-chloro-4-methyl-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

C100H110ClF3N16O12S4 — CID 159812015

About 3-chloro-4-methyl-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

3-chloro-4-methyl-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 159812015) has the molecular formula C100H110ClF3N16O12S4 and a molecular weight of 1948.79 g/mol. Its IUPAC name is 3-chloro-4-methyl-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: 3-chloro-4-methyl-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: 159812015
• Molecular Formula: C100H110ClF3N16O12S4
• Molecular Weight: 1948.79 g/mol
• Exact Mass: 1946.70
• IUPAC Name: 3-chloro-4-methyl-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.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.Cc1ccc(C(=O)NC2Cc3ccccc3C23CCN(S(=O)(=O)c2cn(C)cn2)CC3)cc1Cl.Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2CC3NC(=O)c2c(F)cccc2F)c1
• InChI: InChI=1S/C25H27ClN4O3S.C25H27FN4O3S.C25H28N4O3S.C24H24F2N4O3S.CH4/c1-17-7-8-19(13-21(17)26)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;1-17-7-8-19(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;1-29-14-21(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;/h2*3-8,13,15-16,22H,9-12,14H2,1-2H3,(H,28,31);3-10,16-17,22H,11-15H2,1-2H3,(H,27,30);2-8,14-15,20H,9-13H2,1H3,(H,28,31);1H4
• InChIKey: NLDOGLOZJVPNOQ-UHFFFAOYSA-N
• XLogP: 12.62
• 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	1948.79
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-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 3-chloro-4-methyl-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 159812015) is 3-chloro-4-methyl-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 3-chloro-4-methyl-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 3-chloro-4-methyl-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.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.Cc1ccc(C(=O)NC2Cc3ccccc3C23CCN(S(=O)(=O)c2cn(C)cn2)CC3)cc1Cl.Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2CC3NC(=O)c2c(F)cccc2F)c1.

What is the InChIKey of 3-chloro-4-methyl-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 NLDOGLOZJVPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3S.C25H27FN4O3S.C25H28N4O3S.C24H24F2N4O3S.CH4/c1-17-7-8-19(13-21(17)26)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;1-17-7-8-19(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;1-29-14-21(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;/h2*3-8,13,15-16,22H,9-12,14H2,1-2H3,(H,28,31);3-10,16-17,22H,11-15H2,1-2H3,(H,27,30);2-8,14-15,20H,9-13H2,1H3,(H,28,31);1H4.

What are the key properties of 3-chloro-4-methyl-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?

3-chloro-4-methyl-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 1948.79 g/mol, XLogP of 12.62, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-methyl-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 159812015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).