1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole

C26H17Cl2NO2S — CID 15473667

IUPAC1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C26H17Cl2NO2S/c27-20-14-10-18(11-15-20)25-23-8-4-5-9-24(23)29(26(25)19-12-16-21(28)17-13-19)32(30,31)22-6-2-1-3-7-22/h1-17H
InChIKeyBOKHLRCSAYKWSD-UHFFFAOYSA-N
MW478.40 g/mol
LogP7.52
Rot. Bonds4

About 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole

1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole (PubChem CID 15473667) has the molecular formula C26H17Cl2NO2S and a molecular weight of 478.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
PubChem CID15473667
Molecular FormulaC26H17Cl2NO2S
Molecular Weight478.40 g/mol
Exact Mass477.04
IUPAC Name1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C26H17Cl2NO2S/c27-20-14-10-18(11-15-20)25-23-8-4-5-9-24(23)29(26(25)19-12-16-21(28)17-13-19)32(30,31)22-6-2-1-3-7-22/h1-17H
InChIKeyBOKHLRCSAYKWSD-UHFFFAOYSA-N
XLogP7.52
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.40
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-(2-isocyanothiophen-3-yl)-2-phenylindole
CID 156685635
2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132506395
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole
CID 15504984
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
1-(benzenesulfonyl)-3-[4-(bromomethyl)phenyl]-2-(1-trityltetrazol-5-yl)indole
CID 139640863
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
CID 133055740
2-benzyl-1-(4-chlorophenyl)sulfonylbenzimidazole
CID 610174
2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine
CID 56957362

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole (CID 15473667) is 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole is O=S(=O)(c1ccccc1)n1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole?
The InChIKey is BOKHLRCSAYKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2NO2S/c27-20-14-10-18(11-15-20)25-23-8-4-5-9-24(23)29(26(25)19-12-16-21(28)17-13-19)32(30,31)22-6-2-1-3-7-22/h1-17H.
What are the key properties of 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole?
1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole has a molecular weight of 478.40 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole is sourced from PubChem (CID 15473667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).