sulfurochloridic acid;1,3,5-trichlorobenzene

C6H4Cl4O3S — CID 88739685

IUPACsulfurochloridic acid;1,3,5-trichlorobenzene
SMILESClc1cc(Cl)cc(Cl)c1.O=S(=O)(O)Cl
InChIInChI=1S/C6H3Cl3.ClHO3S/c7-4-1-5(8)3-6(9)2-4;1-5(2,3)4/h1-3H;(H,2,3,4)
InChIKeyGGNFXDSZEXDELX-UHFFFAOYSA-N
MW297.97 g/mol
LogP3.67
Rot. Bonds

About sulfurochloridic acid;1,3,5-trichlorobenzene

sulfurochloridic acid;1,3,5-trichlorobenzene (PubChem CID 88739685) has the molecular formula C6H4Cl4O3S and a molecular weight of 297.97 g/mol. Its IUPAC name is sulfurochloridic acid;1,3,5-trichlorobenzene.

Molecular Properties

Compound Namesulfurochloridic acid;1,3,5-trichlorobenzene
PubChem CID88739685
Molecular FormulaC6H4Cl4O3S
Molecular Weight297.97 g/mol
Exact Mass295.86
IUPAC Namesulfurochloridic acid;1,3,5-trichlorobenzene
SMILESClc1cc(Cl)cc(Cl)c1.O=S(=O)(O)Cl
InChIInChI=1S/C6H3Cl3.ClHO3S/c7-4-1-5(8)3-6(9)2-4;1-5(2,3)4/h1-3H;(H,2,3,4)
InChIKeyGGNFXDSZEXDELX-UHFFFAOYSA-N
XLogP3.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.97
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Trichlorobenzene
CID 7950
1,3-Dichlorobenzene
CID 10943
(2,4-Dichlorophenyl)boronic acid
CID 2734659
3,5-Dichlorophenylboronic acid
CID 2734331
2,6-Dichlorobenzeneboronic acid
CID 2734332
2,4,6-Trichlorobenzeneboronic acid
CID 2734384
1,3,5-Trichlorobenzene-d3
CID 12277324
2,4,5-Trichlorobenzene sulfonyl chloride
CID 77134549
Chlorobenzene sulfochloride
CID 21952870
1,3-Dichlorobenzene-d4
CID 12220718
1-Chloro-2-fluoro-3-sulfinatochloranuidylbenzene
CID 153494544
2,4,6-Trichlorobenzene-d
CID 20825012

Frequently Asked Questions

What is the IUPAC name of sulfurochloridic acid;1,3,5-trichlorobenzene?
The IUPAC name of sulfurochloridic acid;1,3,5-trichlorobenzene (CID 88739685) is sulfurochloridic acid;1,3,5-trichlorobenzene.
What is the SMILES notation for sulfurochloridic acid;1,3,5-trichlorobenzene?
The canonical SMILES for sulfurochloridic acid;1,3,5-trichlorobenzene is Clc1cc(Cl)cc(Cl)c1.O=S(=O)(O)Cl.
What is the InChIKey of sulfurochloridic acid;1,3,5-trichlorobenzene?
The InChIKey is GGNFXDSZEXDELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3.ClHO3S/c7-4-1-5(8)3-6(9)2-4;1-5(2,3)4/h1-3H;(H,2,3,4).
What are the key properties of sulfurochloridic acid;1,3,5-trichlorobenzene?
sulfurochloridic acid;1,3,5-trichlorobenzene has a molecular weight of 297.97 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurochloridic acid;1,3,5-trichlorobenzene is sourced from PubChem (CID 88739685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).