5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole

C39H30FNO4S — CID 154715777

IUPAC5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
SMILESCOc1ccc(-c2c(-c3c(OCc4ccccc4)ccc4ccccc34)n(S(=O)(=O)c3ccc(C)cc3)c3ccc(F)cc23)cc1
InChIInChI=1S/C39H30FNO4S/c1-26-12-20-32(21-13-26)46(42,43)41-35-22-17-30(40)24-34(35)37(29-14-18-31(44-2)19-15-29)39(41)38-33-11-7-6-10-28(33)16-23-36(38)45-25-27-8-4-3-5-9-27/h3-24H,25H2,1-2H3
InChIKeyGXGFQOOPIBQFCM-UHFFFAOYSA-N
MW627.74 g/mol
LogP9.40
Rot. Bonds8

About 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole

5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole (PubChem CID 154715777) has the molecular formula C39H30FNO4S and a molecular weight of 627.74 g/mol. Its IUPAC name is 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole.

Molecular Properties

Compound Name5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
PubChem CID154715777
Molecular FormulaC39H30FNO4S
Molecular Weight627.74 g/mol
Exact Mass627.19
IUPAC Name5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
SMILESCOc1ccc(-c2c(-c3c(OCc4ccccc4)ccc4ccccc34)n(S(=O)(=O)c3ccc(C)cc3)c3ccc(F)cc23)cc1
InChIInChI=1S/C39H30FNO4S/c1-26-12-20-32(21-13-26)46(42,43)41-35-22-17-30(40)24-34(35)37(29-14-18-31(44-2)19-15-29)39(41)38-33-11-7-6-10-28(33)16-23-36(38)45-25-27-8-4-3-5-9-27/h3-24H,25H2,1-2H3
InChIKeyGXGFQOOPIBQFCM-UHFFFAOYSA-N
XLogP9.40
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-9-(4-methylphenyl)sulfonylcarbazole
CID 73352289
9-(Benzenesulfonyl)-6-fluoro-2-methoxycarbazole
CID 138981130
3-(4-Fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
CID 154715776
3-(Furan-3-yl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)-5-(trifluoromethyl)indole
CID 154715778
3-(1-(6-methoxy-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)ethyl)-1-tosyl-1H-indole
CID 156596328
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
1-(Benzenesulfonyl)-5-fluoro-2-[3-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]indole
CID 58066697

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole?
The IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole (CID 154715777) is 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole.
What is the SMILES notation for 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole?
The canonical SMILES for 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole is COc1ccc(-c2c(-c3c(OCc4ccccc4)ccc4ccccc34)n(S(=O)(=O)c3ccc(C)cc3)c3ccc(F)cc23)cc1.
What is the InChIKey of 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole?
The InChIKey is GXGFQOOPIBQFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30FNO4S/c1-26-12-20-32(21-13-26)46(42,43)41-35-22-17-30(40)24-34(35)37(29-14-18-31(44-2)19-15-29)39(41)38-33-11-7-6-10-28(33)16-23-36(38)45-25-27-8-4-3-5-9-27/h3-24H,25H2,1-2H3.
What are the key properties of 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole?
5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole has a molecular weight of 627.74 g/mol, XLogP of 9.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole is sourced from PubChem (CID 154715777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).