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

C142H167F3N4O20S10 — CID 159489243

IUPAC4-[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
SMILESCC(C)S(=O)(=O)Cc1ccc(CCCCc2ccc(S(N)(=O)=O)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(Cc3ccncc3)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3ncsc3c2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3ocnc3c2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3sccc3c2)cc1.COc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H27NO2S.C21H28O5S.C20H27NO4S2.C20H22O2S2.C19H21F3O2S.C19H21NO3S.C19H21NO2S2/c1-19(2)28(26,27)18-24-11-7-21(8-12-24)4-3-20-5-9-22(10-6-20)17-23-13-15-25-16-14-23;1-15(2)27(22,23)14-17-9-6-16(7-10-17)8-11-18-12-19(24-3)21(26-5)20(13-18)25-4;1-16(2)26(22,23)15-19-9-7-17(8-10-19)5-3-4-6-18-11-13-20(14-12-18)27(21,24)25;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-20-19(13-17)11-12-23-20;1-14(2)25(23,24)13-17-7-5-15(6-8-17)3-4-16-9-11-18(12-10-16)19(20,21)22;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-19-18(11-16)20-13-23-19;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-18-19(11-16)23-13-20-18/h5-16,19H,3-4,17-18H2,1-2H3;6-7,9-10,12-13,15H,8,11,14H2,1-5H3;7-14,16H,3-6,15H2,1-2H3,(H2,21,24,25);4-5,7-13,15H,3,6,14H2,1-2H3;5-12,14H,3-4,13H2,1-2H3;2*4-5,7-11,13-14H,3,6,12H2,1-2H3
InChIKeyLXYZCGOTQPXPPP-UHFFFAOYSA-N
MW2627.57 g/mol
LogP29.99
Rot. Bonds50

About 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

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 (PubChem CID 159489243) has the molecular formula C142H167F3N4O20S10 and a molecular weight of 2627.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159489243
Molecular FormulaC142H167F3N4O20S10
Molecular Weight2627.57 g/mol
Exact Mass2624.93
IUPAC Name4-[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
SMILESCC(C)S(=O)(=O)Cc1ccc(CCCCc2ccc(S(N)(=O)=O)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(Cc3ccncc3)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3ncsc3c2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3ocnc3c2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3sccc3c2)cc1.COc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H27NO2S.C21H28O5S.C20H27NO4S2.C20H22O2S2.C19H21F3O2S.C19H21NO3S.C19H21NO2S2/c1-19(2)28(26,27)18-24-11-7-21(8-12-24)4-3-20-5-9-22(10-6-20)17-23-13-15-25-16-14-23;1-15(2)27(22,23)14-17-9-6-16(7-10-17)8-11-18-12-19(24-3)21(26-5)20(13-18)25-4;1-16(2)26(22,23)15-19-9-7-17(8-10-19)5-3-4-6-18-11-13-20(14-12-18)27(21,24)25;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-20-19(13-17)11-12-23-20;1-14(2)25(23,24)13-17-7-5-15(6-8-17)3-4-16-9-11-18(12-10-16)19(20,21)22;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-19-18(11-16)20-13-23-19;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-18-19(11-16)23-13-20-18/h5-16,19H,3-4,17-18H2,1-2H3;6-7,9-10,12-13,15H,8,11,14H2,1-5H3;7-14,16H,3-6,15H2,1-2H3,(H2,21,24,25);4-5,7-13,15H,3,6,14H2,1-2H3;5-12,14H,3-4,13H2,1-2H3;2*4-5,7-11,13-14H,3,6,12H2,1-2H3
InChIKeyLXYZCGOTQPXPPP-UHFFFAOYSA-N
XLogP29.99
TPSA378.64 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds50
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002627.57
LogP ≤ 529.99
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-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)S(=O)(=O)Cc1ccc(CCCCc2ccc(S(N)(=O)=O)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(Cc3ccncc3)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3ncsc3c2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3ocnc3c2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc3sccc3c2)cc1.COc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 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?
The InChIKey is LXYZCGOTQPXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2S.C21H28O5S.C20H27NO4S2.C20H22O2S2.C19H21F3O2S.C19H21NO3S.C19H21NO2S2/c1-19(2)28(26,27)18-24-11-7-21(8-12-24)4-3-20-5-9-22(10-6-20)17-23-13-15-25-16-14-23;1-15(2)27(22,23)14-17-9-6-16(7-10-17)8-11-18-12-19(24-3)21(26-5)20(13-18)25-4;1-16(2)26(22,23)15-19-9-7-17(8-10-19)5-3-4-6-18-11-13-20(14-12-18)27(21,24)25;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-20-19(13-17)11-12-23-20;1-14(2)25(23,24)13-17-7-5-15(6-8-17)3-4-16-9-11-18(12-10-16)19(20,21)22;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-19-18(11-16)20-13-23-19;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-18-19(11-16)23-13-20-18/h5-16,19H,3-4,17-18H2,1-2H3;6-7,9-10,12-13,15H,8,11,14H2,1-5H3;7-14,16H,3-6,15H2,1-2H3,(H2,21,24,25);4-5,7-13,15H,3,6,14H2,1-2H3;5-12,14H,3-4,13H2,1-2H3;2*4-5,7-11,13-14H,3,6,12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2627.57 g/mol, XLogP of 29.99, 50 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159489243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).