N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile

C108H107Cl6N15O13S4 — CID 167694015

About N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile

N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile (PubChem CID 167694015) has the molecular formula C108H107Cl6N15O13S4 and a molecular weight of 2164.12 g/mol. Its IUPAC name is N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile.

Molecular Properties

• Compound Name: N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile
• PubChem CID: 167694015
• Molecular Formula: C108H107Cl6N15O13S4
• Molecular Weight: 2164.12 g/mol
• Exact Mass: 2159.52
• IUPAC Name: N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile
• SMILES: CC(C)(c1ccc(-c2ccc3c(NS(C)(=O)=O)nccc3n2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3c(NS(C)(=O)=O)nccc3n2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3cnc4nc(NS(C)(=O)=O)ccc4n3)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(OCC34CC(CCS(C)(=O)=O)(C3)C4)cc2)cc1C#N
• InChI: InChI=1S/C28H34ClNO4S.C27H24Cl2N4O3S.C27H26ClN5O3S.C26H23Cl2N5O3S/c1-5-11-33-25-20(15-30)13-22(14-24(25)29)26(2,3)21-6-8-23(9-7-21)34-19-28-16-27(17-28,18-28)10-12-35(4,31)32;1-27(2,20-14-18(16-30)25(22(29)15-20)36-13-11-28)19-6-4-17(5-7-19)23-9-8-21-24(32-23)10-12-31-26(21)33-37(3,34)35;1-5-12-36-25-18(15-29)13-20(14-21(25)28)27(2,3)19-8-6-17(7-9-19)23-16-30-26-22(31-23)10-11-24(32-26)33-37(4,34)35;1-26(2,19-12-17(14-29)24(20(28)13-19)36-11-9-27)18-6-4-16(5-7-18)22-15-31-23-21(32-22)8-10-30-25(23)33-37(3,34)35/h6-9,13-14H,5,10-12,16-19H2,1-4H3;4-10,12,14-15H,11,13H2,1-3H3,(H,31,33);6-11,13-14,16H,5,12H2,1-4H3,(H,30,32,33);4-8,10,12-13,15H,9,11H2,1-3H3,(H,30,33)
• InChIKey: XJIYRHKVOSEMOM-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 417.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2164.12
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile?

The IUPAC name of N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile (CID 167694015) is N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile.

What is the SMILES notation for N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile?

The canonical SMILES for N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile is CC(C)(c1ccc(-c2ccc3c(NS(C)(=O)=O)nccc3n2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CC(C)(c1ccc(-c2cnc3c(NS(C)(=O)=O)nccc3n2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3cnc4nc(NS(C)(=O)=O)ccc4n3)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(OCC34CC(CCS(C)(=O)=O)(C3)C4)cc2)cc1C#N.

What is the InChIKey of N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile?

The InChIKey is XJIYRHKVOSEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClNO4S.C27H24Cl2N4O3S.C27H26ClN5O3S.C26H23Cl2N5O3S/c1-5-11-33-25-20(15-30)13-22(14-24(25)29)26(2,3)21-6-8-23(9-7-21)34-19-28-16-27(17-28,18-28)10-12-35(4,31)32;1-27(2,20-14-18(16-30)25(22(29)15-20)36-13-11-28)19-6-4-17(5-7-19)23-9-8-21-24(32-23)10-12-31-26(21)33-37(3,34)35;1-5-12-36-25-18(15-29)13-20(14-21(25)28)27(2,3)19-8-6-17(7-9-19)23-16-30-26-22(31-23)10-11-24(32-26)33-37(4,34)35;1-26(2,19-12-17(14-29)24(20(28)13-19)36-11-9-27)18-6-4-16(5-7-18)22-15-31-23-21(32-22)8-10-30-25(23)33-37(3,34)35/h6-9,13-14H,5,10-12,16-19H2,1-4H3;4-10,12,14-15H,11,13H2,1-3H3,(H,31,33);6-11,13-14,16H,5,12H2,1-4H3,(H,30,32,33);4-8,10,12-13,15H,9,11H2,1-3H3,(H,30,33).

What are the key properties of N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile?

N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile has a molecular weight of 2164.12 g/mol, XLogP of 23.68, 35 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-1,6-naphthyridin-5-yl]methanesulfonamide;N-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]pyrido[3,4-b]pyrazin-5-yl]methanesulfonamide;N-[2-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]pyrido[2,3-b]pyrazin-6-yl]methanesulfonamide;3-chloro-5-[2-[4-[[3-(2-methylsulfonylethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]phenyl]propan-2-yl]-2-propoxybenzonitrile is sourced from PubChem (CID 167694015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).