5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole

C33H26FNO3S — CID 164683383

IUPAC5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc2ccccc2c1-c1c(-c2ccccc2C)c2cc(F)ccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C33H26FNO3S/c1-21-12-16-25(17-13-21)39(36,37)35-29-18-15-24(34)20-28(29)31(26-10-6-4-8-22(26)2)33(35)32-27-11-7-5-9-23(27)14-19-30(32)38-3/h4-20H,1-3H3
InChIKeyCPMXXXWKJHNROE-UHFFFAOYSA-N
MW535.64 g/mol
LogP8.13
Rot. Bonds5

About 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole

5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole (PubChem CID 164683383) has the molecular formula C33H26FNO3S and a molecular weight of 535.64 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole
PubChem CID164683383
Molecular FormulaC33H26FNO3S
Molecular Weight535.64 g/mol
Exact Mass535.16
IUPAC Name5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc2ccccc2c1-c1c(-c2ccccc2C)c2cc(F)ccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C33H26FNO3S/c1-21-12-16-25(17-13-21)39(36,37)35-29-18-15-24(34)20-28(29)31(26-10-6-4-8-22(26)2)33(35)32-27-11-7-5-9-23(27)14-19-30(32)38-3/h4-20H,1-3H3
InChIKeyCPMXXXWKJHNROE-UHFFFAOYSA-N
XLogP8.13
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.64
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10429739
4-[3-(4-(111C)methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide
CID 168287185
[6-Methoxy-9-(naphthalene-2-sulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethyl]-dimethyl-amine
CID 44386821
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-methoxy-2,4-dimethylbenzene-1-sulfonamide
CID 1262292
2-Methoxy-9-(4-methylphenyl)sulfonylcarbazole
CID 73352289
3-Methoxy-9-(4-methylphenyl)sulfonylcarbazole
CID 73352290
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
5-Fluoro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indole
CID 154715777
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
(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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole (CID 164683383) is 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole is COc1ccc2ccccc2c1-c1c(-c2ccccc2C)c2cc(F)ccc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole?
The InChIKey is CPMXXXWKJHNROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26FNO3S/c1-21-12-16-25(17-13-21)39(36,37)35-29-18-15-24(34)20-28(29)31(26-10-6-4-8-22(26)2)33(35)32-27-11-7-5-9-23(27)14-19-30(32)38-3/h4-20H,1-3H3.
What are the key properties of 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole?
5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole has a molecular weight of 535.64 g/mol, XLogP of 8.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxynaphthalen-1-yl)-3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 164683383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).