1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide

C130H124ClN9O23S3 — CID 159040677

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide (PubChem CID 159040677) has the molecular formula C130H124ClN9O23S3 and a molecular weight of 2312.12 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide
• PubChem CID: 159040677
• Molecular Formula: C130H124ClN9O23S3
• Molecular Weight: 2312.12 g/mol
• Exact Mass: 2309.77
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide
• SMILES: CC(C)C(CO)NS(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNC(=O)c1cccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.CNS(=O)(=O)c1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.Cc1nc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(Cl)cc1.O=C(Cc1cccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C29H30N2O5S.C28H30N2O6S.C25H22N2O4.C24H20ClNO3.C24H22N2O5S/c32-28(29(15-16-29)21-11-14-26-27(17-21)36-19-35-26)18-23-7-4-8-25(30-23)20-9-12-24(13-10-20)37(33,34)31-22-5-2-1-3-6-22;1-18(2)24(16-31)30-37(33,34)22-9-6-19(7-10-22)23-5-3-4-21(29-23)15-27(32)28(12-13-28)20-8-11-25-26(14-20)36-17-35-25;1-26-24(29)17-4-2-3-16(11-17)18-5-7-20(27-14-18)13-23(28)25(9-10-25)19-6-8-21-22(12-19)31-15-30-21;1-15-20(16-2-5-18(25)6-3-16)8-7-19(26-15)13-23(27)24(10-11-24)17-4-9-21-22(12-17)29-14-28-21;1-25-32(28,29)20-7-3-16(4-8-20)17-2-6-19(26-14-17)13-23(27)24(10-11-24)18-5-9-21-22(12-18)31-15-30-21/h4,7-14,17,22,31H,1-3,5-6,15-16,18-19H2;3-11,14,18,24,30-31H,12-13,15-17H2,1-2H3;2-8,11-12,14H,9-10,13,15H2,1H3,(H,26,29);2-9,12H,10-11,13-14H2,1H3;2-9,12,14,25H,10-11,13,15H2,1H3
• InChIKey: JVZZRQJTHKBHNM-UHFFFAOYSA-N
• XLogP: 20.74
• TPSA: 429.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2312.12
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide (CID 159040677) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide is CC(C)C(CO)NS(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNC(=O)c1cccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.CNS(=O)(=O)c1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.Cc1nc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(Cl)cc1.O=C(Cc1cccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide?

The InChIKey is JVZZRQJTHKBHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5S.C28H30N2O6S.C25H22N2O4.C24H20ClNO3.C24H22N2O5S/c32-28(29(15-16-29)21-11-14-26-27(17-21)36-19-35-26)18-23-7-4-8-25(30-23)20-9-12-24(13-10-20)37(33,34)31-22-5-2-1-3-6-22;1-18(2)24(16-31)30-37(33,34)22-9-6-19(7-10-22)23-5-3-4-21(29-23)15-27(32)28(12-13-28)20-8-11-25-26(14-20)36-17-35-25;1-26-24(29)17-4-2-3-16(11-17)18-5-7-20(27-14-18)13-23(28)25(9-10-25)19-6-8-21-22(12-19)31-15-30-21;1-15-20(16-2-5-18(25)6-3-16)8-7-19(26-15)13-23(27)24(10-11-24)17-4-9-21-22(12-17)29-14-28-21;1-25-32(28,29)20-7-3-16(4-8-20)17-2-6-19(26-14-17)13-23(27)24(10-11-24)18-5-9-21-22(12-18)31-15-30-21/h4,7-14,17,22,31H,1-3,5-6,15-16,18-19H2;3-11,14,18,24,30-31H,12-13,15-17H2,1-2H3;2-8,11-12,14H,9-10,13,15H2,1H3,(H,26,29);2-9,12H,10-11,13-14H2,1H3;2-9,12,14,25H,10-11,13,15H2,1H3.

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide has a molecular weight of 2312.12 g/mol, XLogP of 20.74, 36 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 159040677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).