sodium;azane;sulfamate;hydrochloride

H6ClN2NaO3S — CID 175097549

IUPACsodium;azane;sulfamate;hydrochloride
SMILESCl.N.NS(=O)(=O)[O-].[Na+]
InChIInChI=1S/ClH.H3NO3S.H3N.Na/c;1-5(2,3)4;;/h1H;(H3,1,2,3,4);1H3;/q;;;+1/p-1
InChIKeyBEOUWKVIHQOHRQ-UHFFFAOYSA-M
MW172.57 g/mol
LogP-4.01
Rot. Bonds

About sodium;azane;sulfamate;hydrochloride

sodium;azane;sulfamate;hydrochloride (PubChem CID 175097549) has the molecular formula H6ClN2NaO3S and a molecular weight of 172.57 g/mol. Its IUPAC name is sodium;azane;sulfamate;hydrochloride.

Molecular Properties

Compound Namesodium;azane;sulfamate;hydrochloride
PubChem CID175097549
Molecular FormulaH6ClN2NaO3S
Molecular Weight172.57 g/mol
Exact Mass171.97
IUPAC Namesodium;azane;sulfamate;hydrochloride
SMILESCl.N.NS(=O)(=O)[O-].[Na+]
InChIInChI=1S/ClH.H3NO3S.H3N.Na/c;1-5(2,3)4;;/h1H;(H3,1,2,3,4);1H3;/q;;;+1/p-1
InChIKeyBEOUWKVIHQOHRQ-UHFFFAOYSA-M
XLogP-4.01
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 5-4.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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azanide;nickel(2+);sulfamate
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cobalt(2+);nickel(2+);tetrasulfamate
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cobalt(2+);nickel;disulfamate
CID 173214745
sodium;azane;hydrogen sulfate;hydrochloride
CID 173374550
dichloronickel;nickel(2+);disulfamate
CID 161475993
nickel(2+);cyanide;sulfamate
CID 160755995
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrochloride
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sodium;lanthanum(3+);disulfate
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Frequently Asked Questions

What is the IUPAC name of sodium;azane;sulfamate;hydrochloride?
The IUPAC name of sodium;azane;sulfamate;hydrochloride (CID 175097549) is sodium;azane;sulfamate;hydrochloride.
What is the SMILES notation for sodium;azane;sulfamate;hydrochloride?
The canonical SMILES for sodium;azane;sulfamate;hydrochloride is Cl.N.NS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;azane;sulfamate;hydrochloride?
The InChIKey is BEOUWKVIHQOHRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH.H3NO3S.H3N.Na/c;1-5(2,3)4;;/h1H;(H3,1,2,3,4);1H3;/q;;;+1/p-1.
What are the key properties of sodium;azane;sulfamate;hydrochloride?
sodium;azane;sulfamate;hydrochloride has a molecular weight of 172.57 g/mol, XLogP of -4.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;sulfamate;hydrochloride is sourced from PubChem (CID 175097549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).