1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene

C12H8Cl2O4S2 — CID 21259718

IUPAC1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene
SMILESO=S(=O)(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2O4S2/c13-10-7-4-8-11(12(10)14)20(17,18)19(15,16)9-5-2-1-3-6-9/h1-8H
InChIKeyHHGOASGZRJRPBN-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.16
Rot. Bonds3

About 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene

1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene (PubChem CID 21259718) has the molecular formula C12H8Cl2O4S2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene
PubChem CID21259718
Molecular FormulaC12H8Cl2O4S2
Molecular Weight351.23 g/mol
Exact Mass349.92
IUPAC Name1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene
SMILESO=S(=O)(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2O4S2/c13-10-7-4-8-11(12(10)14)20(17,18)19(15,16)9-5-2-1-3-6-9/h1-8H
InChIKeyHHGOASGZRJRPBN-UHFFFAOYSA-N
XLogP3.16
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene
CID 139890496
2-(benzenesulfonyl)-6-chloroaniline
CID 22766719
1-(benzenesulfonyl)-3-chloro-2-fluorobenzene
CID 118451545
2-[3-(benzenesulfonyl)-2-chlorophenyl]acetic acid
CID 68880717
calcium bis(2,3-dichlorobenzenesulfonate)
CID 141357351
1,2-bis(benzenesulfonyl)benzene
CID 19980733
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
3-(4-chloronaphthalen-1-yl)sulfonylsulfonylbenzoic acid
CID 70863015
5-(benzenesulfonyl)-6-(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione
CID 10321562
2-(benzenesulfonyl)ethanamine;2-(2,6-dichlorophenyl)sulfonylethanamine
CID 158169655
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene?
The IUPAC name of 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene (CID 21259718) is 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene.
What is the SMILES notation for 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene?
The canonical SMILES for 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene is O=S(=O)(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene?
The InChIKey is HHGOASGZRJRPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O4S2/c13-10-7-4-8-11(12(10)14)20(17,18)19(15,16)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene?
1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene has a molecular weight of 351.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylsulfonyl)-2,3-dichlorobenzene is sourced from PubChem (CID 21259718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).