1,3,5-tris(benzenesulfonyl)benzene

C24H18O6S3 — CID 11027467

IUPAC1,3,5-tris(benzenesulfonyl)benzene
SMILESO=S(=O)(c1ccccc1)c1cc(S(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H18O6S3/c25-31(26,19-10-4-1-5-11-19)22-16-23(32(27,28)20-12-6-2-7-13-20)18-24(17-22)33(29,30)21-14-8-3-9-15-21/h1-18H
InChIKeyHONVLYCAPPNIOT-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.18
Rot. Bonds6

About 1,3,5-tris(benzenesulfonyl)benzene

1,3,5-tris(benzenesulfonyl)benzene (PubChem CID 11027467) has the molecular formula C24H18O6S3 and a molecular weight of 498.60 g/mol. Its IUPAC name is 1,3,5-tris(benzenesulfonyl)benzene.

Molecular Properties

Compound Name1,3,5-tris(benzenesulfonyl)benzene
PubChem CID11027467
Molecular FormulaC24H18O6S3
Molecular Weight498.60 g/mol
Exact Mass498.03
IUPAC Name1,3,5-tris(benzenesulfonyl)benzene
SMILESO=S(=O)(c1ccccc1)c1cc(S(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H18O6S3/c25-31(26,19-10-4-1-5-11-19)22-16-23(32(27,28)20-12-6-2-7-13-20)18-24(17-22)33(29,30)21-14-8-3-9-15-21/h1-18H
InChIKeyHONVLYCAPPNIOT-UHFFFAOYSA-N
XLogP4.18
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
benzenesulfonylbenzene;formonitrile
CID 174749173
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzenesulfonylbenzene;oxalic acid
CID 67897674
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
1,2-bis(benzenesulfonyl)benzene
CID 19980733
CID 174989035
CID 174989035
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
1-[3-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene;1-[4-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene
CID 162084371
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(benzenesulfonyl)benzene?
The IUPAC name of 1,3,5-tris(benzenesulfonyl)benzene (CID 11027467) is 1,3,5-tris(benzenesulfonyl)benzene.
What is the SMILES notation for 1,3,5-tris(benzenesulfonyl)benzene?
The canonical SMILES for 1,3,5-tris(benzenesulfonyl)benzene is O=S(=O)(c1ccccc1)c1cc(S(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1,3,5-tris(benzenesulfonyl)benzene?
The InChIKey is HONVLYCAPPNIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6S3/c25-31(26,19-10-4-1-5-11-19)22-16-23(32(27,28)20-12-6-2-7-13-20)18-24(17-22)33(29,30)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 1,3,5-tris(benzenesulfonyl)benzene?
1,3,5-tris(benzenesulfonyl)benzene has a molecular weight of 498.60 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(benzenesulfonyl)benzene is sourced from PubChem (CID 11027467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).