5-(benzenesulfonyl)-1,2-diphenylindole

C26H19NO2S — CID 21424353

IUPAC5-(benzenesulfonyl)-1,2-diphenylindole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)cc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H19NO2S/c28-30(29,23-14-8-3-9-15-23)24-16-17-25-21(18-24)19-26(20-10-4-1-5-11-20)27(25)22-12-6-2-7-13-22/h1-19H
InChIKeyHCFWIKDQUCOCLY-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.13
Rot. Bonds4

About 5-(benzenesulfonyl)-1,2-diphenylindole

5-(benzenesulfonyl)-1,2-diphenylindole (PubChem CID 21424353) has the molecular formula C26H19NO2S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1,2-diphenylindole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1,2-diphenylindole
PubChem CID21424353
Molecular FormulaC26H19NO2S
Molecular Weight409.51 g/mol
Exact Mass409.11
IUPAC Name5-(benzenesulfonyl)-1,2-diphenylindole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)cc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H19NO2S/c28-30(29,23-14-8-3-9-15-23)24-16-17-25-21(18-24)19-26(20-10-4-1-5-11-20)27(25)22-12-6-2-7-13-22/h1-19H
InChIKeyHCFWIKDQUCOCLY-UHFFFAOYSA-N
XLogP6.13
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole
CID 57129889
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
9-[4-(benzenesulfonyl)phenyl]carbazole
CID 132916142
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
1-methyl-2-phenylindole-5-sulfonic acid
CID 15768512
9-[4-[(E)-2-[4-[4-(benzenesulfonyl)phenyl]phenyl]ethenyl]phenyl]-3,6-dimethoxycarbazole
CID 130339144
1,2-diphenyl-6-[2-phenyl-1-(4-phenylphenyl)indol-6-yl]indole
CID 71230374
3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 174707909
9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole
CID 161262026
1,2-dinaphthalen-2-yl-6-(2-naphthalen-2-yl-1-phenylindol-5-yl)indole
CID 144508733
1,2,6-triphenylpyridin-4-one
CID 13088641

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1,2-diphenylindole?
The IUPAC name of 5-(benzenesulfonyl)-1,2-diphenylindole (CID 21424353) is 5-(benzenesulfonyl)-1,2-diphenylindole.
What is the SMILES notation for 5-(benzenesulfonyl)-1,2-diphenylindole?
The canonical SMILES for 5-(benzenesulfonyl)-1,2-diphenylindole is O=S(=O)(c1ccccc1)c1ccc2c(c1)cc(-c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-1,2-diphenylindole?
The InChIKey is HCFWIKDQUCOCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO2S/c28-30(29,23-14-8-3-9-15-23)24-16-17-25-21(18-24)19-26(20-10-4-1-5-11-20)27(25)22-12-6-2-7-13-22/h1-19H.
What are the key properties of 5-(benzenesulfonyl)-1,2-diphenylindole?
5-(benzenesulfonyl)-1,2-diphenylindole has a molecular weight of 409.51 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1,2-diphenylindole is sourced from PubChem (CID 21424353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).