sodium N-(3-methoxyphenyl)iminosulfamate

C7H7N2NaO4S — CID 23715155

IUPACsodium N-(3-methoxyphenyl)iminosulfamate
SMILESCOc1cccc(/N=N/S(=O)(=O)[O-])c1.[Na+]
InChIInChI=1S/C7H8N2O4S.Na/c1-13-7-4-2-3-6(5-7)8-9-14(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1/b9-8+;
InChIKeyINQKRBMCWWJSTB-HRNDJLQDSA-M
MW238.20 g/mol
LogP-1.76
Rot. Bonds3

About sodium N-(3-methoxyphenyl)iminosulfamate

sodium N-(3-methoxyphenyl)iminosulfamate (PubChem CID 23715155) has the molecular formula C7H7N2NaO4S and a molecular weight of 238.20 g/mol. Its IUPAC name is sodium N-(3-methoxyphenyl)iminosulfamate.

Molecular Properties

Compound Namesodium N-(3-methoxyphenyl)iminosulfamate
PubChem CID23715155
Molecular FormulaC7H7N2NaO4S
Molecular Weight238.20 g/mol
Exact Mass238.00
IUPAC Namesodium N-(3-methoxyphenyl)iminosulfamate
SMILESCOc1cccc(/N=N/S(=O)(=O)[O-])c1.[Na+]
InChIInChI=1S/C7H8N2O4S.Na/c1-13-7-4-2-3-6(5-7)8-9-14(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1/b9-8+;
InChIKeyINQKRBMCWWJSTB-HRNDJLQDSA-M
XLogP-1.76
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium N-(4-methoxyphenyl)iminosulfamate
CID 23675130
(3-methoxyphenyl)-naphthalen-2-yldiazene
CID 581663
(3-methoxyphenyl)-[(3-methoxyphenyl)methyl]diazene
CID 157276293
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135431486
CID 172849383
CID 172849383
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874
2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
sodium [5-(3-methoxyphenyl)thiophen-2-yl] sulfate
CID 23664900
trisodium;4-hydroxy-7-[[5-hydroxy-7-sulfonato-6-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-[(3-methoxyphenyl)diazenyl]naphthalene-2-sulfonate
CID 136661768

Frequently Asked Questions

What is the IUPAC name of sodium N-(3-methoxyphenyl)iminosulfamate?
The IUPAC name of sodium N-(3-methoxyphenyl)iminosulfamate (CID 23715155) is sodium N-(3-methoxyphenyl)iminosulfamate.
What is the SMILES notation for sodium N-(3-methoxyphenyl)iminosulfamate?
The canonical SMILES for sodium N-(3-methoxyphenyl)iminosulfamate is COc1cccc(/N=N/S(=O)(=O)[O-])c1.[Na+].
What is the InChIKey of sodium N-(3-methoxyphenyl)iminosulfamate?
The InChIKey is INQKRBMCWWJSTB-HRNDJLQDSA-M. The full InChI is InChI=1S/C7H8N2O4S.Na/c1-13-7-4-2-3-6(5-7)8-9-14(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1/b9-8+;.
What are the key properties of sodium N-(3-methoxyphenyl)iminosulfamate?
sodium N-(3-methoxyphenyl)iminosulfamate has a molecular weight of 238.20 g/mol, XLogP of -1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(3-methoxyphenyl)iminosulfamate is sourced from PubChem (CID 23715155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).