2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide

C24H24Cl2N4O3S — CID 70217611

IUPAC2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2C[C@H]3NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H24Cl2N4O3S/c1-29-14-22(27-15-29)34(32,33)30-10-8-24(9-11-30)19-5-3-2-4-16(19)12-21(24)28-23(31)18-7-6-17(25)13-20(18)26/h2-7,13-15,21H,8-12H2,1H3,(H,28,31)/t21-/m1/s1
InChIKeyHOTRTYGWXHZWCD-OAQYLSRUSA-N
MW519.45 g/mol
LogP3.80
Rot. Bonds4

About 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide

2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide (PubChem CID 70217611) has the molecular formula C24H24Cl2N4O3S and a molecular weight of 519.45 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
PubChem CID70217611
Molecular FormulaC24H24Cl2N4O3S
Molecular Weight519.45 g/mol
Exact Mass518.09
IUPAC Name2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2C[C@H]3NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H24Cl2N4O3S/c1-29-14-22(27-15-29)34(32,33)30-10-8-24(9-11-30)19-5-3-2-4-16(19)12-21(24)28-23(31)18-7-6-17(25)13-20(18)26/h2-7,13-15,21H,8-12H2,1H3,(H,28,31)/t21-/m1/s1
InChIKeyHOTRTYGWXHZWCD-OAQYLSRUSA-N
XLogP3.80
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide (CID 70217611) is 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide is Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2C[C@H]3NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?
The InChIKey is HOTRTYGWXHZWCD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3S/c1-29-14-22(27-15-29)34(32,33)30-10-8-24(9-11-30)19-5-3-2-4-16(19)12-21(24)28-23(31)18-7-6-17(25)13-20(18)26/h2-7,13-15,21H,8-12H2,1H3,(H,28,31)/t21-/m1/s1.
What are the key properties of 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?
2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide has a molecular weight of 519.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide is sourced from PubChem (CID 70217611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).