sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride

C6H6Br2NNaO3S — CID 173102273

IUPACsodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride
SMILESNc1c(Br)cc(S(=O)(=O)O)cc1Br.[H-].[Na+]
InChIInChI=1S/C6H5Br2NO3S.Na.H/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;;/h1-2H,9H2,(H,10,11,12);;/q;+1;-1
InChIKeyOSUVNIQXJMLDOK-UHFFFAOYSA-N
MW354.98 g/mol
LogP-0.84
Rot. Bonds1

About sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride

sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride (PubChem CID 173102273) has the molecular formula C6H6Br2NNaO3S and a molecular weight of 354.98 g/mol. Its IUPAC name is sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride
PubChem CID173102273
Molecular FormulaC6H6Br2NNaO3S
Molecular Weight354.98 g/mol
Exact Mass352.83
IUPAC Namesodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride
SMILESNc1c(Br)cc(S(=O)(=O)O)cc1Br.[H-].[Na+]
InChIInChI=1S/C6H5Br2NO3S.Na.H/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;;/h1-2H,9H2,(H,10,11,12);;/q;+1;-1
InChIKeyOSUVNIQXJMLDOK-UHFFFAOYSA-N
XLogP-0.84
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.98
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromo-4-ethenylsulfonylaniline
CID 70537279
4-amino-3-bromobenzenesulfonic acid
CID 18398323
CID 159296954
CID 159296954
4-amino-3,5-diiodobenzenesulfonic acid
CID 46707047
2-(4-amino-3,5-dibromophenyl)sulfonylacetic acid
CID 11068738
CID 131877005
CID 131877005
4-amino-3,5-dinitrobenzenesulfonic acid
CID 3562834
2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)aniline
CID 23123878
4-amino-5-bromobenzene-1,3-disulfonamide
CID 22323981
5-amino-6,8-dibromo-9,10-dioxoanthracene-2-sulfonic acid
CID 154267605
3-bromo-4-tert-butylbenzenesulfonic acid
CID 58734579
4-amino-3,5-dimethoxybenzenesulfonic acid
CID 139685863

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride?
The IUPAC name of sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride (CID 173102273) is sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride.
What is the SMILES notation for sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride?
The canonical SMILES for sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride is Nc1c(Br)cc(S(=O)(=O)O)cc1Br.[H-].[Na+].
What is the InChIKey of sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride?
The InChIKey is OSUVNIQXJMLDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO3S.Na.H/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;;/h1-2H,9H2,(H,10,11,12);;/q;+1;-1.
What are the key properties of sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride?
sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride has a molecular weight of 354.98 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride is sourced from PubChem (CID 173102273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).