1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine

C149H233Cl3FN5O18S9 — CID 158691477

IUPAC1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine
SMILESCC(C)S(=O)(=O)CC1CCC(CCCCCN2CCOCC2)CC1.CC(C)S(=O)(=O)CC1CCC(CCCCSCc2c(Cl)cccc2Cl)CC1.CC(C)S(=O)(=O)CC1CCC(CCCCSCc2c(F)cccc2Cl)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2c3ccccc3nc3ccccc23)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2cc(-c3ccco3)n[nH]2)CC1.CCN(CCCCC1CCC(CS(=O)(=O)C(C)C)CC1)c1ccccc1.COc1ccc(CCCCC2CCC(CS(=O)(=O)C(C)C)CC2)cc1OC
InChIInChI=1S/C25H31NO2S.C22H37NO2S.C22H36O4S.C21H32Cl2O2S2.C21H32ClFO2S2.C19H28N2O3S.C19H37NO3S/c1-18(2)29(27,28)17-20-13-11-19(12-14-20)15-16-21-22-7-3-5-9-24(22)26-25-10-6-4-8-23(21)25;1-4-23(22-11-6-5-7-12-22)17-9-8-10-20-13-15-21(16-14-20)18-26(24,25)19(2)3;1-17(2)27(23,24)16-20-11-9-18(10-12-20)7-5-6-8-19-13-14-21(25-3)22(15-19)26-4;2*1-16(2)27(24,25)15-18-11-9-17(10-12-18)6-3-4-13-26-14-19-20(22)7-5-8-21(19)23;1-14(2)25(22,23)13-16-7-5-15(6-8-16)9-10-17-12-18(21-20-17)19-4-3-11-24-19;1-17(2)24(21,22)16-19-9-7-18(8-10-19)6-4-3-5-11-20-12-14-23-15-13-20/h3-10,18-20H,11-17H2,1-2H3;5-7,11-12,19-21H,4,8-10,13-18H2,1-3H3;13-15,17-18,20H,5-12,16H2,1-4H3;2*5,7-8,16-18H,3-4,6,9-15H2,1-2H3;3-4,11-12,14-16H,5-10,13H2,1-2H3,(H,20,21);17-19H,3-16H2,1-2H3
InChIKeyIGKBKDXJBYWFIP-UHFFFAOYSA-N
MW2796.48 g/mol
LogP37.59
Rot. Bonds62

About 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine

1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine (PubChem CID 158691477) has the molecular formula C149H233Cl3FN5O18S9 and a molecular weight of 2796.48 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine
PubChem CID158691477
Molecular FormulaC149H233Cl3FN5O18S9
Molecular Weight2796.48 g/mol
Exact Mass2792.40
IUPAC Name1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine
SMILESCC(C)S(=O)(=O)CC1CCC(CCCCCN2CCOCC2)CC1.CC(C)S(=O)(=O)CC1CCC(CCCCSCc2c(Cl)cccc2Cl)CC1.CC(C)S(=O)(=O)CC1CCC(CCCCSCc2c(F)cccc2Cl)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2c3ccccc3nc3ccccc23)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2cc(-c3ccco3)n[nH]2)CC1.CCN(CCCCC1CCC(CS(=O)(=O)C(C)C)CC1)c1ccccc1.COc1ccc(CCCCC2CCC(CS(=O)(=O)C(C)C)CC2)cc1OC
InChIInChI=1S/C25H31NO2S.C22H37NO2S.C22H36O4S.C21H32Cl2O2S2.C21H32ClFO2S2.C19H28N2O3S.C19H37NO3S/c1-18(2)29(27,28)17-20-13-11-19(12-14-20)15-16-21-22-7-3-5-9-24(22)26-25-10-6-4-8-23(21)25;1-4-23(22-11-6-5-7-12-22)17-9-8-10-20-13-15-21(16-14-20)18-26(24,25)19(2)3;1-17(2)27(23,24)16-20-11-9-18(10-12-20)7-5-6-8-19-13-14-21(25-3)22(15-19)26-4;2*1-16(2)27(24,25)15-18-11-9-17(10-12-18)6-3-4-13-26-14-19-20(22)7-5-8-21(19)23;1-14(2)25(22,23)13-16-7-5-15(6-8-16)9-10-17-12-18(21-20-17)19-4-3-11-24-19;1-17(2)24(21,22)16-19-9-7-18(8-10-19)6-4-3-5-11-20-12-14-23-15-13-20/h3-10,18-20H,11-17H2,1-2H3;5-7,11-12,19-21H,4,8-10,13-18H2,1-3H3;13-15,17-18,20H,5-12,16H2,1-4H3;2*5,7-8,16-18H,3-4,6,9-15H2,1-2H3;3-4,11-12,14-16H,5-10,13H2,1-2H3,(H,20,21);17-19H,3-16H2,1-2H3
InChIKeyIGKBKDXJBYWFIP-UHFFFAOYSA-N
XLogP37.59
TPSA327.86 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds62
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002796.48
LogP ≤ 537.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine?
The IUPAC name of 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine (CID 158691477) is 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine.
What is the SMILES notation for 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine?
The canonical SMILES for 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine is CC(C)S(=O)(=O)CC1CCC(CCCCCN2CCOCC2)CC1.CC(C)S(=O)(=O)CC1CCC(CCCCSCc2c(Cl)cccc2Cl)CC1.CC(C)S(=O)(=O)CC1CCC(CCCCSCc2c(F)cccc2Cl)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2c3ccccc3nc3ccccc23)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2cc(-c3ccco3)n[nH]2)CC1.CCN(CCCCC1CCC(CS(=O)(=O)C(C)C)CC1)c1ccccc1.COc1ccc(CCCCC2CCC(CS(=O)(=O)C(C)C)CC2)cc1OC.
What is the InChIKey of 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine?
The InChIKey is IGKBKDXJBYWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2S.C22H37NO2S.C22H36O4S.C21H32Cl2O2S2.C21H32ClFO2S2.C19H28N2O3S.C19H37NO3S/c1-18(2)29(27,28)17-20-13-11-19(12-14-20)15-16-21-22-7-3-5-9-24(22)26-25-10-6-4-8-23(21)25;1-4-23(22-11-6-5-7-12-22)17-9-8-10-20-13-15-21(16-14-20)18-26(24,25)19(2)3;1-17(2)27(23,24)16-20-11-9-18(10-12-20)7-5-6-8-19-13-14-21(25-3)22(15-19)26-4;2*1-16(2)27(24,25)15-18-11-9-17(10-12-18)6-3-4-13-26-14-19-20(22)7-5-8-21(19)23;1-14(2)25(22,23)13-16-7-5-15(6-8-16)9-10-17-12-18(21-20-17)19-4-3-11-24-19;1-17(2)24(21,22)16-19-9-7-18(8-10-19)6-4-3-5-11-20-12-14-23-15-13-20/h3-10,18-20H,11-17H2,1-2H3;5-7,11-12,19-21H,4,8-10,13-18H2,1-3H3;13-15,17-18,20H,5-12,16H2,1-4H3;2*5,7-8,16-18H,3-4,6,9-15H2,1-2H3;3-4,11-12,14-16H,5-10,13H2,1-2H3,(H,20,21);17-19H,3-16H2,1-2H3.
What are the key properties of 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine?
1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine has a molecular weight of 2796.48 g/mol, XLogP of 37.59, 62 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine is sourced from PubChem (CID 158691477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).