sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride

C6H5ClF3N2NaO3S — CID 174221344

IUPACsodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride
SMILESO=S(=O)(O)Nc1cc(C(F)(F)F)cc(Cl)n1.[H-].[Na+]
InChIInChI=1S/C6H4ClF3N2O3S.Na.H/c7-4-1-3(6(8,9)10)2-5(11-4)12-16(13,14)15;;/h1-2H,(H,11,12)(H,13,14,15);;/q;+1;-1
InChIKeyFVPULUJREWATLZ-UHFFFAOYSA-N
MW300.62 g/mol
LogP-0.92
Rot. Bonds2

About sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride

sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride (PubChem CID 174221344) has the molecular formula C6H5ClF3N2NaO3S and a molecular weight of 300.62 g/mol. Its IUPAC name is sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride.

Molecular Properties

Compound Namesodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride
PubChem CID174221344
Molecular FormulaC6H5ClF3N2NaO3S
Molecular Weight300.62 g/mol
Exact Mass299.96
IUPAC Namesodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride
SMILESO=S(=O)(O)Nc1cc(C(F)(F)F)cc(Cl)n1.[H-].[Na+]
InChIInChI=1S/C6H4ClF3N2O3S.Na.H/c7-4-1-3(6(8,9)10)2-5(11-4)12-16(13,14)15;;/h1-2H,(H,11,12)(H,13,14,15);;/q;+1;-1
InChIKeyFVPULUJREWATLZ-UHFFFAOYSA-N
XLogP-0.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.62
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride?
The IUPAC name of sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride (CID 174221344) is sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride.
What is the SMILES notation for sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride?
The canonical SMILES for sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride is O=S(=O)(O)Nc1cc(C(F)(F)F)cc(Cl)n1.[H-].[Na+].
What is the InChIKey of sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride?
The InChIKey is FVPULUJREWATLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O3S.Na.H/c7-4-1-3(6(8,9)10)2-5(11-4)12-16(13,14)15;;/h1-2H,(H,11,12)(H,13,14,15);;/q;+1;-1.
What are the key properties of sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride?
sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride has a molecular weight of 300.62 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride is sourced from PubChem (CID 174221344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).