3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole

C39H30FNO3S — CID 154715776

IUPAC3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
SMILESCc1ccc(S(=O)(=O)n2c(-c3c(OCc4ccccc4)ccc4ccccc34)c(-c3ccc(F)cc3)c3cc(C)ccc32)cc1
InChIInChI=1S/C39H30FNO3S/c1-26-12-20-32(21-13-26)45(42,43)41-35-22-14-27(2)24-34(35)37(30-15-18-31(40)19-16-30)39(41)38-33-11-7-6-10-29(33)17-23-36(38)44-25-28-8-4-3-5-9-28/h3-24H,25H2,1-2H3
InChIKeyOBQWLXPZHPZZAQ-UHFFFAOYSA-N
MW611.74 g/mol
LogP9.70
Rot. Bonds7

About 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole

3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole (PubChem CID 154715776) has the molecular formula C39H30FNO3S and a molecular weight of 611.74 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
PubChem CID154715776
Molecular FormulaC39H30FNO3S
Molecular Weight611.74 g/mol
Exact Mass611.19
IUPAC Name3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
SMILESCc1ccc(S(=O)(=O)n2c(-c3c(OCc4ccccc4)ccc4ccccc34)c(-c3ccc(F)cc3)c3cc(C)ccc32)cc1
InChIInChI=1S/C39H30FNO3S/c1-26-12-20-32(21-13-26)45(42,43)41-35-22-14-27(2)24-34(35)37(30-15-18-31(40)19-16-30)39(41)38-33-11-7-6-10-29(33)17-23-36(38)44-25-28-8-4-3-5-9-28/h3-24H,25H2,1-2H3
InChIKeyOBQWLXPZHPZZAQ-UHFFFAOYSA-N
XLogP9.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 1507662
5-Fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
CID 154715777
3-(Furan-3-yl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)-5-(trifluoromethyl)indole
CID 154715778
1-(4-Methylphenyl)sulfonyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)indole
CID 164671335
5-Fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole
CID 164683383
(3S)-3-[[2-(2-methoxynaphthalen-1-yl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)indol-3-yl]methyl]-3-methyl-2H-inden-1-one
CID 164683406
2-[1-(4-Methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole
CID 71528711
4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide
CID 1262284
5-[4-(4-Fluorophenyl)-2,5-dimethoxyphenyl]-1-(4-methylphenyl)sulfonylindole
CID 23539148
5-(5-fluoro-2-iodo-1-(phenylsulfonyl)-1H-indol-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile
CID 118537427
1-(Benzenesulfonyl)-2-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindole
CID 135322268
1-(Benzenesulfonyl)-2-(4-fluorophenyl)-4-phenylmethoxyindole
CID 135323019

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole (CID 154715776) is 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole is Cc1ccc(S(=O)(=O)n2c(-c3c(OCc4ccccc4)ccc4ccccc34)c(-c3ccc(F)cc3)c3cc(C)ccc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole?
The InChIKey is OBQWLXPZHPZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30FNO3S/c1-26-12-20-32(21-13-26)45(42,43)41-35-22-14-27(2)24-34(35)37(30-15-18-31(40)19-16-30)39(41)38-33-11-7-6-10-29(33)17-23-36(38)44-25-28-8-4-3-5-9-28/h3-24H,25H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole?
3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole has a molecular weight of 611.74 g/mol, XLogP of 9.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole is sourced from PubChem (CID 154715776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).