2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine

C93H88F5N3O16S7 — CID 160631233

IUPAC2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)c(S(=O)(=O)c2ccccn2)c1.CC(C)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1.CC(C)c1ccc(S(=O)(=O)C2=Cc3ccccc3C2S(=O)(=O)c2ccccc2F)cc1.CC(C)c1ccc(S(=O)(=O)c2c(S(=O)(=O)c3ccccn3)c3ccccc3n2C)cc1
InChIInChI=1S/C24H21FO4S2.C23H20F4O3S.C23H22N2O4S2.C23H25NO5S2/c1-16(2)17-11-13-19(14-12-17)30(26,27)23-15-18-7-3-4-8-20(18)24(23)31(28,29)22-10-6-5-9-21(22)25;1-15(2)17-9-7-16(8-10-17)13-18-11-12-19(30-23(25,26)27)14-22(18)31(28,29)21-6-4-3-5-20(21)24;1-16(2)17-11-13-18(14-12-17)30(26,27)23-22(19-8-4-5-9-20(19)25(23)3)31(28,29)21-10-6-7-15-24-21;1-16(2)18-8-11-20(12-9-18)30(25,26)21-13-10-19(29-17(3)4)15-22(21)31(27,28)23-7-5-6-14-24-23/h3-16,24H,1-2H3;3-12,14-15H,13H2,1-2H3;4-16H,1-3H3;5-17H,1-4H3
InChIKeyRHYIIUVLKJVINF-UHFFFAOYSA-N
MW1823.19 g/mol
LogP20.58
Rot. Bonds23

About 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine

2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine (PubChem CID 160631233) has the molecular formula C93H88F5N3O16S7 and a molecular weight of 1823.19 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine
PubChem CID160631233
Molecular FormulaC93H88F5N3O16S7
Molecular Weight1823.19 g/mol
Exact Mass1821.41
IUPAC Name2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)c(S(=O)(=O)c2ccccn2)c1.CC(C)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1.CC(C)c1ccc(S(=O)(=O)C2=Cc3ccccc3C2S(=O)(=O)c2ccccc2F)cc1.CC(C)c1ccc(S(=O)(=O)c2c(S(=O)(=O)c3ccccn3)c3ccccc3n2C)cc1
InChIInChI=1S/C24H21FO4S2.C23H20F4O3S.C23H22N2O4S2.C23H25NO5S2/c1-16(2)17-11-13-19(14-12-17)30(26,27)23-15-18-7-3-4-8-20(18)24(23)31(28,29)22-10-6-5-9-21(22)25;1-15(2)17-9-7-16(8-10-17)13-18-11-12-19(30-23(25,26)27)14-22(18)31(28,29)21-6-4-3-5-20(21)24;1-16(2)17-11-13-18(14-12-17)30(26,27)23-22(19-8-4-5-9-20(19)25(23)3)31(28,29)21-10-6-7-15-24-21;1-16(2)18-8-11-20(12-9-18)30(25,26)21-13-10-19(29-17(3)4)15-22(21)31(27,28)23-7-5-6-14-24-23/h3-16,24H,1-2H3;3-12,14-15H,13H2,1-2H3;4-16H,1-3H3;5-17H,1-4H3
InChIKeyRHYIIUVLKJVINF-UHFFFAOYSA-N
XLogP20.58
TPSA288.15 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.19
LogP ≤ 520.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine with MolForge

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Related Compounds

2-(3-Dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate
CID 159891498

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine (CID 160631233) is 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine is CC(C)Oc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)c(S(=O)(=O)c2ccccn2)c1.CC(C)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1.CC(C)c1ccc(S(=O)(=O)C2=Cc3ccccc3C2S(=O)(=O)c2ccccc2F)cc1.CC(C)c1ccc(S(=O)(=O)c2c(S(=O)(=O)c3ccccn3)c3ccccc3n2C)cc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine?
The InChIKey is RHYIIUVLKJVINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO4S2.C23H20F4O3S.C23H22N2O4S2.C23H25NO5S2/c1-16(2)17-11-13-19(14-12-17)30(26,27)23-15-18-7-3-4-8-20(18)24(23)31(28,29)22-10-6-5-9-21(22)25;1-15(2)17-9-7-16(8-10-17)13-18-11-12-19(30-23(25,26)27)14-22(18)31(28,29)21-6-4-3-5-20(21)24;1-16(2)17-11-13-18(14-12-17)30(26,27)23-22(19-8-4-5-9-20(19)25(23)3)31(28,29)21-10-6-7-15-24-21;1-16(2)18-8-11-20(12-9-18)30(25,26)21-13-10-19(29-17(3)4)15-22(21)31(27,28)23-7-5-6-14-24-23/h3-16,24H,1-2H3;3-12,14-15H,13H2,1-2H3;4-16H,1-3H3;5-17H,1-4H3.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine?
2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine has a molecular weight of 1823.19 g/mol, XLogP of 20.58, 23 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethoxy)benzene;1-(2-fluorophenyl)sulfonyl-2-(4-propan-2-ylphenyl)sulfonyl-1H-indene;1-methyl-2-(4-propan-2-ylphenyl)sulfonyl-3-pyridin-2-ylsulfonylindole;2-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine is sourced from PubChem (CID 160631233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).