(2,3-dichloro-5-sulfophenyl)chloranium

C6H4Cl3O3S+ — CID 163879358

IUPAC(2,3-dichloro-5-sulfophenyl)chloranium
SMILESO=S(=O)(O)c1cc(Cl)c(Cl)c([ClH+])c1
InChIInChI=1S/C6H3Cl3O3S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,7H/p+1
InChIKeyPRTCPZKMBFHTGE-UHFFFAOYSA-O
MW262.52 g/mol
LogP1.94
Rot. Bonds1

About (2,3-dichloro-5-sulfophenyl)chloranium

(2,3-dichloro-5-sulfophenyl)chloranium (PubChem CID 163879358) has the molecular formula C6H4Cl3O3S+ and a molecular weight of 262.52 g/mol. Its IUPAC name is (2,3-dichloro-5-sulfophenyl)chloranium.

Molecular Properties

Compound Name(2,3-dichloro-5-sulfophenyl)chloranium
PubChem CID163879358
Molecular FormulaC6H4Cl3O3S+
Molecular Weight262.52 g/mol
Exact Mass260.89
IUPAC Name(2,3-dichloro-5-sulfophenyl)chloranium
SMILESO=S(=O)(O)c1cc(Cl)c(Cl)c([ClH+])c1
InChIInChI=1S/C6H3Cl3O3S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,7H/p+1
InChIKeyPRTCPZKMBFHTGE-UHFFFAOYSA-O
XLogP1.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.52
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-chloro-4-hydroxybenzenesulfonic acid
CID 22133
4-tert-butyl-3,5-dichlorobenzenesulfonic acid
CID 134464430
calcium;3-chloro-4-methylbenzenesulfonic acid;hydride
CID 173480184
CID 159570698
CID 159570698
potassium 4-chloro-3,5-dinitrobenzenesulfonic acid
CID 54600157
3,5-dichloro-4-dodecylbenzenesulfonic acid
CID 87360168
azane;3-chloro-4-hydroxy-5-nitrobenzenesulfonic acid
CID 170846694
3,5-dichloro-4-octylbenzenesulfonic acid
CID 87360895
4,5-dichlorobenzene-1,3-disulfonyl chloride
CID 14195249
CID 159296954
CID 159296954
3,4,5-trihydroxybenzenesulfonic acid
CID 15787789
CID 131877005
CID 131877005

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-5-sulfophenyl)chloranium?
The IUPAC name of (2,3-dichloro-5-sulfophenyl)chloranium (CID 163879358) is (2,3-dichloro-5-sulfophenyl)chloranium.
What is the SMILES notation for (2,3-dichloro-5-sulfophenyl)chloranium?
The canonical SMILES for (2,3-dichloro-5-sulfophenyl)chloranium is O=S(=O)(O)c1cc(Cl)c(Cl)c([ClH+])c1.
What is the InChIKey of (2,3-dichloro-5-sulfophenyl)chloranium?
The InChIKey is PRTCPZKMBFHTGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H3Cl3O3S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,7H/p+1.
What are the key properties of (2,3-dichloro-5-sulfophenyl)chloranium?
(2,3-dichloro-5-sulfophenyl)chloranium has a molecular weight of 262.52 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-5-sulfophenyl)chloranium is sourced from PubChem (CID 163879358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).