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

C6H6F3N2NaO3S — CID 174221328

IUPACsodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
SMILESO=S(=O)(O)Nc1cc(C(F)(F)F)ccn1.[H-].[Na+]
InChIInChI=1S/C6H5F3N2O3S.Na.H/c7-6(8,9)4-1-2-10-5(3-4)11-15(12,13)14;;/h1-3H,(H,10,11)(H,12,13,14);;/q;+1;-1
InChIKeyDXHMSRJKXBOUCS-UHFFFAOYSA-N
MW266.18 g/mol
LogP-1.57
Rot. Bonds2

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

sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid (PubChem CID 174221328) has the molecular formula C6H6F3N2NaO3S and a molecular weight of 266.18 g/mol. Its IUPAC name is sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid.

Molecular Properties

Compound Namesodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
PubChem CID174221328
Molecular FormulaC6H6F3N2NaO3S
Molecular Weight266.18 g/mol
Exact Mass265.99
IUPAC Namesodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
SMILESO=S(=O)(O)Nc1cc(C(F)(F)F)ccn1.[H-].[Na+]
InChIInChI=1S/C6H5F3N2O3S.Na.H/c7-6(8,9)4-1-2-10-5(3-4)11-15(12,13)14;;/h1-3H,(H,10,11)(H,12,13,14);;/q;+1;-1
InChIKeyDXHMSRJKXBOUCS-UHFFFAOYSA-N
XLogP-1.57
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
CID 102006525
sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride
CID 174221344
4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 86785423
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
N-ethenyl-4-(trifluoromethyl)pyridin-2-amine
CID 142379561
N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide
CID 144695801
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid?
The IUPAC name of sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid (CID 174221328) is sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid.
What is the SMILES notation for sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid?
The canonical SMILES for sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid is O=S(=O)(O)Nc1cc(C(F)(F)F)ccn1.[H-].[Na+].
What is the InChIKey of sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid?
The InChIKey is DXHMSRJKXBOUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O3S.Na.H/c7-6(8,9)4-1-2-10-5(3-4)11-15(12,13)14;;/h1-3H,(H,10,11)(H,12,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid?
sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid has a molecular weight of 266.18 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid is sourced from PubChem (CID 174221328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).