4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene

C152H187F3N4O20S10 — CID 157187046

IUPAC4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene
SMILESCC(C)(C)S(=O)(=O)Cc1ccc(CCCCc2ccc(S(N)(=O)=O)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(Cc3ccncc3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc3ocnc3c2)cc1.COc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc(OC)c1OC.Cc1c(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.Cc1cc(C(F)(F)F)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.Cc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc2ccsc12
InChIInChI=1S/C25H29NO2S.C22H30O5S.C22H26O2S2.C21H25F3O2S.C21H29NO4S2.C21H25NO2S2.C20H23NO3S/c1-25(2,3)29(27,28)19-24-12-8-21(9-13-24)5-4-20-6-10-22(11-7-20)18-23-14-16-26-17-15-23;1-22(2,3)28(23,24)15-17-10-7-16(8-11-17)9-12-18-13-19(25-4)21(27-6)20(14-18)26-5;1-16-13-19(14-20-11-12-25-21(16)20)10-7-17-5-8-18(9-6-17)15-26(23,24)22(2,3)4;1-15-13-19(21(22,23)24)12-11-18(15)10-9-16-5-7-17(8-6-16)14-27(25,26)20(2,3)4;1-21(2,3)27(23,24)16-19-10-8-17(9-11-19)6-4-5-7-18-12-14-20(15-13-18)28(22,25)26;1-15-18(11-12-19-20(15)25-14-22-19)10-9-16-5-7-17(8-6-16)13-26(23,24)21(2,3)4;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-19-18(12-16)21-14-24-19/h6-17H,4-5,18-19H2,1-3H3;7-8,10-11,13-14H,9,12,15H2,1-6H3;5-6,8-9,11-14H,7,10,15H2,1-4H3;5-8,11-13H,9-10,14H2,1-4H3;8-15H,4-7,16H2,1-3H3,(H2,22,25,26);5-8,11-12,14H,9-10,13H2,1-4H3;5-6,8-12,14H,4,7,13H2,1-3H3
InChIKeyAPFZGDKEIWSANL-UHFFFAOYSA-N
MW2767.84 g/mol
LogP33.64
Rot. Bonds43

About 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene

4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene (PubChem CID 157187046) has the molecular formula C152H187F3N4O20S10 and a molecular weight of 2767.84 g/mol. Its IUPAC name is 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene
PubChem CID157187046
Molecular FormulaC152H187F3N4O20S10
Molecular Weight2767.84 g/mol
Exact Mass2765.09
IUPAC Name4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene
SMILESCC(C)(C)S(=O)(=O)Cc1ccc(CCCCc2ccc(S(N)(=O)=O)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(Cc3ccncc3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc3ocnc3c2)cc1.COc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc(OC)c1OC.Cc1c(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.Cc1cc(C(F)(F)F)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.Cc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc2ccsc12
InChIInChI=1S/C25H29NO2S.C22H30O5S.C22H26O2S2.C21H25F3O2S.C21H29NO4S2.C21H25NO2S2.C20H23NO3S/c1-25(2,3)29(27,28)19-24-12-8-21(9-13-24)5-4-20-6-10-22(11-7-20)18-23-14-16-26-17-15-23;1-22(2,3)28(23,24)15-17-10-7-16(8-11-17)9-12-18-13-19(25-4)21(27-6)20(14-18)26-5;1-16-13-19(14-20-11-12-25-21(16)20)10-7-17-5-8-18(9-6-17)15-26(23,24)22(2,3)4;1-15-13-19(21(22,23)24)12-11-18(15)10-9-16-5-7-17(8-6-16)14-27(25,26)20(2,3)4;1-21(2,3)27(23,24)16-19-10-8-17(9-11-19)6-4-5-7-18-12-14-20(15-13-18)28(22,25)26;1-15-18(11-12-19-20(15)25-14-22-19)10-9-16-5-7-17(8-6-16)13-26(23,24)21(2,3)4;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-19-18(12-16)21-14-24-19/h6-17H,4-5,18-19H2,1-3H3;7-8,10-11,13-14H,9,12,15H2,1-6H3;5-6,8-9,11-14H,7,10,15H2,1-4H3;5-8,11-13H,9-10,14H2,1-4H3;8-15H,4-7,16H2,1-3H3,(H2,22,25,26);5-8,11-12,14H,9-10,13H2,1-4H3;5-6,8-12,14H,4,7,13H2,1-3H3
InChIKeyAPFZGDKEIWSANL-UHFFFAOYSA-N
XLogP33.64
TPSA378.64 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds43
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002767.84
LogP ≤ 533.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene with MolForge

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Related Compounds

2-(7-Tert-butylsulfonylheptyl)pyrimidine;2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole;5-heptyl-1,3-benzothiazole;5-heptyl-1-benzothiophene;5-heptyl-1,3-benzoxazole;1-heptyl-2-methyl-4-(trifluoromethyl)benzene;2-heptyl-1,3,5-triazine;5-heptyl-1,2,3-trimethoxybenzene;octakis(2-methylpropane-2-sulfinate);4-nonylbenzenesulfonamide
CID 157312162
2-(4-Fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 157434324
6-heptyl-1,3-benzothiazole;5-heptyl-1-benzothiophene;5-heptyl-2,3-dihydro-1H-indene;4-[(4-heptylphenyl)methyl]pyridine;3-heptyl-N-propan-2-ylbenzamide;1-heptyl-4-(trifluoromethyl)benzene;4-(4-oxononyl)benzenesulfonamide;heptakis(propane-2-sulfinate);5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene
CID 157452083
2-(4-Fluorophenyl)-5-(7-propan-2-ylsulfonylheptyl)-1,3,4-thiadiazole;2-methyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;2-(7-propan-2-ylsulfonylheptyl)pyrimidine;4-(9-propan-2-ylsulfonylnonyl)benzenesulfonamide;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene
CID 157707085
2-(4-Fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 158304290
6-(7-Tert-butylsulfonylheptyl)-1,3-benzothiazole;5-(7-tert-butylsulfonylheptyl)-1-benzothiophene;5-(7-tert-butylsulfonylheptyl)-1,3-benzoxazole;1-(7-tert-butylsulfonylheptyl)-2-methyl-4-(trifluoromethyl)benzene;4-[[4-(7-tert-butylsulfonylheptyl)phenyl]methyl]pyridine;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethoxybenzene;4-(9-tert-butylsulfonylnonyl)benzenesulfonamide
CID 158595395
6-heptyl-1,3-benzothiazole;5-heptyl-1-benzothiophene;5-heptyl-1,3-benzoxazole;1-heptyl-2-methyl-4-(trifluoromethyl)benzene;4-[(4-heptylphenyl)methyl]pyridine;5-heptyl-1,2,3-trimethoxybenzene;4-nonylbenzenesulfonamide;heptakis(propane-2-sulfinate);N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide
CID 158650788
2-(4-Fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;2-methyl-1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159100348
4-Butylbenzenesulfonamide;6-ethyl-1,3-benzothiazole;5-ethyl-1-benzothiophene;5-ethyl-1,3-benzoxazole;2-ethyl-5-(4-fluorophenyl)-1,3,4-thiadiazole;1-ethyl-2-methyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate);propan-2-ylsulfonylmethylcyclohexane
CID 159195525
1-(1,3-Benzothiazol-5-yl)-7-tert-butylsulfonylheptan-2-one;1-(1-benzothiophen-5-yl)-7-tert-butylsulfonylheptan-2-one;1-(1,3-benzoxazol-5-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]heptan-2-one;7-tert-butylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]heptan-2-one;4-(9-tert-butylsulfonyl-4-oxononyl)benzenesulfonamide;7-tert-butylsulfonyl-1-pyrimidin-2-ylheptan-2-one;7-tert-butylsulfonyl-1-(1,3,5-triazin-2-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3,4,5-trimethoxyphenyl)heptan-2-one
CID 159275999
4-[4-[4-(Propan-2-ylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;4-[[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;1-(propan-2-ylsulfonylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
CID 159489243
4-[4-[4-(Tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 159501925

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene (CID 157187046) is 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene is CC(C)(C)S(=O)(=O)Cc1ccc(CCCCc2ccc(S(N)(=O)=O)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(Cc3ccncc3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc3ocnc3c2)cc1.COc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc(OC)c1OC.Cc1c(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.Cc1cc(C(F)(F)F)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.Cc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc2ccsc12.
What is the InChIKey of 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene?
The InChIKey is APFZGDKEIWSANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2S.C22H30O5S.C22H26O2S2.C21H25F3O2S.C21H29NO4S2.C21H25NO2S2.C20H23NO3S/c1-25(2,3)29(27,28)19-24-12-8-21(9-13-24)5-4-20-6-10-22(11-7-20)18-23-14-16-26-17-15-23;1-22(2,3)28(23,24)15-17-10-7-16(8-11-17)9-12-18-13-19(25-4)21(27-6)20(14-18)26-5;1-16-13-19(14-20-11-12-25-21(16)20)10-7-17-5-8-18(9-6-17)15-26(23,24)22(2,3)4;1-15-13-19(21(22,23)24)12-11-18(15)10-9-16-5-7-17(8-6-16)14-27(25,26)20(2,3)4;1-21(2,3)27(23,24)16-19-10-8-17(9-11-19)6-4-5-7-18-12-14-20(15-13-18)28(22,25)26;1-15-18(11-12-19-20(15)25-14-22-19)10-9-16-5-7-17(8-6-16)13-26(23,24)21(2,3)4;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-19-18(12-16)21-14-24-19/h6-17H,4-5,18-19H2,1-3H3;7-8,10-11,13-14H,9,12,15H2,1-6H3;5-6,8-9,11-14H,7,10,15H2,1-4H3;5-8,11-13H,9-10,14H2,1-4H3;8-15H,4-7,16H2,1-3H3,(H2,22,25,26);5-8,11-12,14H,9-10,13H2,1-4H3;5-6,8-12,14H,4,7,13H2,1-3H3.
What are the key properties of 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene?
4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene has a molecular weight of 2767.84 g/mol, XLogP of 33.64, 43 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 157187046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).