N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile

C105H117Cl4N9O15S4 — CID 167616520

IUPACN-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile
SMILESCCCOc1c(Cl)cc(C(C)(C)c2ccc(O[C@@H](C)C34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(O[C@H](C)C34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N.COc1c(Cl)cc(C(C)(C)c2ccc(-c3ccc4nc(CS(C)(=O)=O)cnc4c3)cc2)cc1C#N.COc1c(Cl)cc(C(C)(C)c2ccc(OCC34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N
InChIInChI=1S/C27H24ClN3O3S.2C27H33ClN2O4S.C24H27ClN2O4S/c1-27(2,21-11-19(14-29)26(34-3)23(28)13-21)20-8-5-17(6-9-20)18-7-10-24-25(12-18)30-15-22(31-24)16-35(4,32)33;2*1-6-11-33-24-19(14-29)12-21(13-23(24)28)25(3,4)20-7-9-22(10-8-20)34-18(2)26-15-27(16-26,17-26)30-35(5,31)32;1-22(2,18-9-16(11-26)21(30-3)20(25)10-18)17-5-7-19(8-6-17)31-15-23-12-24(13-23,14-23)27-32(4,28)29/h5-13,15H,16H2,1-4H3;2*7-10,12-13,18,30H,6,11,15-17H2,1-5H3;5-10,27H,12-15H2,1-4H3/t;2*18-,26?,27?;/m.10./s1
InChIKeyLUZYMDABQVPFQA-XCCBTQLXSA-N
MW2015.22 g/mol
LogP21.23
Rot. Bonds34

About N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile

N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile (PubChem CID 167616520) has the molecular formula C105H117Cl4N9O15S4 and a molecular weight of 2015.22 g/mol. Its IUPAC name is N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile.

Molecular Properties

Compound NameN-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile
PubChem CID167616520
Molecular FormulaC105H117Cl4N9O15S4
Molecular Weight2015.22 g/mol
Exact Mass2011.63
IUPAC NameN-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile
SMILESCCCOc1c(Cl)cc(C(C)(C)c2ccc(O[C@@H](C)C34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(O[C@H](C)C34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N.COc1c(Cl)cc(C(C)(C)c2ccc(-c3ccc4nc(CS(C)(=O)=O)cnc4c3)cc2)cc1C#N.COc1c(Cl)cc(C(C)(C)c2ccc(OCC34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N
InChIInChI=1S/C27H24ClN3O3S.2C27H33ClN2O4S.C24H27ClN2O4S/c1-27(2,21-11-19(14-29)26(34-3)23(28)13-21)20-8-5-17(6-9-20)18-7-10-24-25(12-18)30-15-22(31-24)16-35(4,32)33;2*1-6-11-33-24-19(14-29)12-21(13-23(24)28)25(3,4)20-7-9-22(10-8-20)34-18(2)26-15-27(16-26,17-26)30-35(5,31)32;1-22(2,18-9-16(11-26)21(30-3)20(25)10-18)17-5-7-19(8-6-17)31-15-23-12-24(13-23,14-23)27-32(4,28)29/h5-13,15H,16H2,1-4H3;2*7-10,12-13,18,30H,6,11,15-17H2,1-5H3;5-10,27H,12-15H2,1-4H3/t;2*18-,26?,27?;/m.10./s1
InChIKeyLUZYMDABQVPFQA-XCCBTQLXSA-N
XLogP21.23
TPSA358.20 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002015.22
LogP ≤ 521.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile?
The IUPAC name of N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile (CID 167616520) is N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile.
What is the SMILES notation for N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile?
The canonical SMILES for N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile is CCCOc1c(Cl)cc(C(C)(C)c2ccc(O[C@@H](C)C34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(O[C@H](C)C34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N.COc1c(Cl)cc(C(C)(C)c2ccc(-c3ccc4nc(CS(C)(=O)=O)cnc4c3)cc2)cc1C#N.COc1c(Cl)cc(C(C)(C)c2ccc(OCC34CC(NS(C)(=O)=O)(C3)C4)cc2)cc1C#N.
What is the InChIKey of N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile?
The InChIKey is LUZYMDABQVPFQA-XCCBTQLXSA-N. The full InChI is InChI=1S/C27H24ClN3O3S.2C27H33ClN2O4S.C24H27ClN2O4S/c1-27(2,21-11-19(14-29)26(34-3)23(28)13-21)20-8-5-17(6-9-20)18-7-10-24-25(12-18)30-15-22(31-24)16-35(4,32)33;2*1-6-11-33-24-19(14-29)12-21(13-23(24)28)25(3,4)20-7-9-22(10-8-20)34-18(2)26-15-27(16-26,17-26)30-35(5,31)32;1-22(2,18-9-16(11-26)21(30-3)20(25)10-18)17-5-7-19(8-6-17)31-15-23-12-24(13-23,14-23)27-32(4,28)29/h5-13,15H,16H2,1-4H3;2*7-10,12-13,18,30H,6,11,15-17H2,1-5H3;5-10,27H,12-15H2,1-4H3/t;2*18-,26?,27?;/m.10./s1.
What are the key properties of N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile?
N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile has a molecular weight of 2015.22 g/mol, XLogP of 21.23, 34 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[2-(3-chloro-5-cyano-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1R)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;N-[3-[(1S)-1-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-1-bicyclo[1.1.1]pentanyl]methanesulfonamide;3-chloro-2-methoxy-5-[2-[4-[2-(methylsulfonylmethyl)quinoxalin-6-yl]phenyl]propan-2-yl]benzonitrile is sourced from PubChem (CID 167616520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).