1,2-bis(benzenesulfonyl)benzene

C18H14O4S2 — CID 19980733

IUPAC1,2-bis(benzenesulfonyl)benzene
SMILESO=S(=O)(c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14O4S2/c19-23(20,15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(21,22)16-11-5-2-6-12-16/h1-14H
InChIKeyGSMMBRRXAPIYSR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.35
Rot. Bonds4

About 1,2-bis(benzenesulfonyl)benzene

1,2-bis(benzenesulfonyl)benzene (PubChem CID 19980733) has the molecular formula C18H14O4S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1,2-bis(benzenesulfonyl)benzene.

Molecular Properties

Compound Name1,2-bis(benzenesulfonyl)benzene
PubChem CID19980733
Molecular FormulaC18H14O4S2
Molecular Weight358.44 g/mol
Exact Mass358.03
IUPAC Name1,2-bis(benzenesulfonyl)benzene
SMILESO=S(=O)(c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14O4S2/c19-23(20,15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(21,22)16-11-5-2-6-12-16/h1-14H
InChIKeyGSMMBRRXAPIYSR-UHFFFAOYSA-N
XLogP3.35
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-(benzenesulfonyl)benzaldehyde
CID 640916
1-(benzenesulfonyl)-2-nitrosobenzene
CID 24977548
2-(benzenesulfonyl)-6-chloroaniline
CID 22766719
1-(benzenesulfonyl)-2-methylsulfanylbenzene
CID 139816771
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-(benzenesulfonyl)-3-chloro-2-fluorobenzene
CID 118451545
2,3-bis(benzenesulfonyl)pyridine
CID 140663815
1-(benzenesulfonyl)-2-cyclopropylbenzene
CID 12644504
benzenesulfonylbenzene;oxalic acid
CID 67897674

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(benzenesulfonyl)benzene?
The IUPAC name of 1,2-bis(benzenesulfonyl)benzene (CID 19980733) is 1,2-bis(benzenesulfonyl)benzene.
What is the SMILES notation for 1,2-bis(benzenesulfonyl)benzene?
The canonical SMILES for 1,2-bis(benzenesulfonyl)benzene is O=S(=O)(c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,2-bis(benzenesulfonyl)benzene?
The InChIKey is GSMMBRRXAPIYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4S2/c19-23(20,15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(21,22)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1,2-bis(benzenesulfonyl)benzene?
1,2-bis(benzenesulfonyl)benzene has a molecular weight of 358.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(benzenesulfonyl)benzene is sourced from PubChem (CID 19980733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).