4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one

C118H97F2N5O20S5 — CID 159928784

IUPAC4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccccc32)c(C(C)C)c1.Cc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3cc(F)ccc32)cc1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C=C1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc3ccccc3c2)C=C1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C29H33NO4S.2C24H17NO4S.C21H16FNO4S.C20H14FNO4S/c1-18(2)22-15-24(19(3)4)28(25(16-22)20(5)6)35(33,34)30-26-10-8-7-9-21(26)17-27(30)29(32)13-11-23(31)12-14-29;26-20-11-13-24(27,14-12-20)23-16-19-7-3-4-8-22(19)25(23)30(28,29)21-10-9-17-5-1-2-6-18(17)15-21;26-22-14-15-24(27,20-12-6-5-11-19(20)22)23-16-17-8-4-7-13-21(17)25(23)30(28,29)18-9-2-1-3-10-18;1-14-2-5-18(6-3-14)28(26,27)23-19-7-4-16(22)12-15(19)13-20(23)21(25)10-8-17(24)9-11-21;21-15-5-7-17(8-6-15)27(25,26)22-18-4-2-1-3-14(18)13-19(22)20(24)11-9-16(23)10-12-20/h7-20,32H,1-6H3;2*1-16,27H;2-13,25H,1H3;1-13,24H
InChIKeyNZJDRSGYBLOSAM-UHFFFAOYSA-N
MW2103.42 g/mol
LogP20.02
Rot. Bonds18

About 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one

4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one (PubChem CID 159928784) has the molecular formula C118H97F2N5O20S5 and a molecular weight of 2103.42 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
PubChem CID159928784
Molecular FormulaC118H97F2N5O20S5
Molecular Weight2103.42 g/mol
Exact Mass2101.53
IUPAC Name4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccccc32)c(C(C)C)c1.Cc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3cc(F)ccc32)cc1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C=C1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc3ccccc3c2)C=C1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C29H33NO4S.2C24H17NO4S.C21H16FNO4S.C20H14FNO4S/c1-18(2)22-15-24(19(3)4)28(25(16-22)20(5)6)35(33,34)30-26-10-8-7-9-21(26)17-27(30)29(32)13-11-23(31)12-14-29;26-20-11-13-24(27,14-12-20)23-16-19-7-3-4-8-22(19)25(23)30(28,29)21-10-9-17-5-1-2-6-18(17)15-21;26-22-14-15-24(27,20-12-6-5-11-19(20)22)23-16-17-8-4-7-13-21(17)25(23)30(28,29)18-9-2-1-3-10-18;1-14-2-5-18(6-3-14)28(26,27)23-19-7-4-16(22)12-15(19)13-20(23)21(25)10-8-17(24)9-11-21;21-15-5-7-17(8-6-15)27(25,26)22-18-4-2-1-3-14(18)13-19(22)20(24)11-9-16(23)10-12-20/h7-20,32H,1-6H3;2*1-16,27H;2-13,25H,1H3;1-13,24H
InChIKeyNZJDRSGYBLOSAM-UHFFFAOYSA-N
XLogP20.02
TPSA381.85 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.42
LogP ≤ 520.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one with MolForge

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Related Compounds

[3-[1-(benzenesulfonyl)indol-2-yl]phenyl]-(1-methylindol-2-yl)methanol;1-(benzenesulfonyl)-2-[3-[1-(1-phenylindol-2-yl)ethenyl]phenyl]indole;1H-inden-2-yl-[3-(1H-indol-2-yl)phenyl]methanone;2-[3-[1-(1H-indol-2-yl)ethyl]phenyl]-1H-indole;2-[3-(1H-indol-2-ylmethyl)phenyl]-1H-indole;sulfur dioxide
CID 161301293

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one (CID 159928784) is 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one is CC(C)c1cc(C(C)C)c(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccccc32)c(C(C)C)c1.Cc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3cc(F)ccc32)cc1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C=C1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc3ccccc3c2)C=C1.O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one?
The InChIKey is NZJDRSGYBLOSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO4S.2C24H17NO4S.C21H16FNO4S.C20H14FNO4S/c1-18(2)22-15-24(19(3)4)28(25(16-22)20(5)6)35(33,34)30-26-10-8-7-9-21(26)17-27(30)29(32)13-11-23(31)12-14-29;26-20-11-13-24(27,14-12-20)23-16-19-7-3-4-8-22(19)25(23)30(28,29)21-10-9-17-5-1-2-6-18(17)15-21;26-22-14-15-24(27,20-12-6-5-11-19(20)22)23-16-17-8-4-7-13-21(17)25(23)30(28,29)18-9-2-1-3-10-18;1-14-2-5-18(6-3-14)28(26,27)23-19-7-4-16(22)12-15(19)13-20(23)21(25)10-8-17(24)9-11-21;21-15-5-7-17(8-6-15)27(25,26)22-18-4-2-1-3-14(18)13-19(22)20(24)11-9-16(23)10-12-20/h7-20,32H,1-6H3;2*1-16,27H;2-13,25H,1H3;1-13,24H.
What are the key properties of 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one?
4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one has a molecular weight of 2103.42 g/mol, XLogP of 20.02, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one;4-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-[1-(4-fluorophenyl)sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one;4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one;4-hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 159928784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).