sodium;2,4-dichlorobenzenesulfonic acid;hydride

C6H5Cl2NaO3S — CID 173175851

IUPACsodium;2,4-dichlorobenzenesulfonic acid;hydride
SMILESO=S(=O)(O)c1ccc(Cl)cc1Cl.[H-].[Na+]
InChIInChI=1S/C6H4Cl2O3S.Na.H/c7-4-1-2-6(5(8)3-4)12(9,10)11;;/h1-3H,(H,9,10,11);;/q;+1;-1
InChIKeyVOGYLFGIXNXIKT-UHFFFAOYSA-N
MW251.07 g/mol
LogP-0.64
Rot. Bonds1

About sodium;2,4-dichlorobenzenesulfonic acid;hydride

sodium;2,4-dichlorobenzenesulfonic acid;hydride (PubChem CID 173175851) has the molecular formula C6H5Cl2NaO3S and a molecular weight of 251.07 g/mol. Its IUPAC name is sodium;2,4-dichlorobenzenesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2,4-dichlorobenzenesulfonic acid;hydride
PubChem CID173175851
Molecular FormulaC6H5Cl2NaO3S
Molecular Weight251.07 g/mol
Exact Mass249.92
IUPAC Namesodium;2,4-dichlorobenzenesulfonic acid;hydride
SMILESO=S(=O)(O)c1ccc(Cl)cc1Cl.[H-].[Na+]
InChIInChI=1S/C6H4Cl2O3S.Na.H/c7-4-1-2-6(5(8)3-4)12(9,10)11;;/h1-3H,(H,9,10,11);;/q;+1;-1
InChIKeyVOGYLFGIXNXIKT-UHFFFAOYSA-N
XLogP-0.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 5-0.64
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

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4-chloro-2-chlorosulfonylbenzenesulfonic acid
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sodium;2-chloro-4-nitrobenzenesulfonic acid;hydride
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2,4-dichloro-N-hydroxybenzenesulfonamide
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CID 172733861
strontium;hydride;2,4,5-trichlorobenzenesulfonic acid
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(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 125424590
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093
2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661
5-chloro-2-methylbenzenesulfonic acid;hydrochloride
CID 88793134
4-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]-2-chlorobenzenesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of sodium;2,4-dichlorobenzenesulfonic acid;hydride?
The IUPAC name of sodium;2,4-dichlorobenzenesulfonic acid;hydride (CID 173175851) is sodium;2,4-dichlorobenzenesulfonic acid;hydride.
What is the SMILES notation for sodium;2,4-dichlorobenzenesulfonic acid;hydride?
The canonical SMILES for sodium;2,4-dichlorobenzenesulfonic acid;hydride is O=S(=O)(O)c1ccc(Cl)cc1Cl.[H-].[Na+].
What is the InChIKey of sodium;2,4-dichlorobenzenesulfonic acid;hydride?
The InChIKey is VOGYLFGIXNXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O3S.Na.H/c7-4-1-2-6(5(8)3-4)12(9,10)11;;/h1-3H,(H,9,10,11);;/q;+1;-1.
What are the key properties of sodium;2,4-dichlorobenzenesulfonic acid;hydride?
sodium;2,4-dichlorobenzenesulfonic acid;hydride has a molecular weight of 251.07 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,4-dichlorobenzenesulfonic acid;hydride is sourced from PubChem (CID 173175851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).