sodium N-methyl-N-phenylsulfamate

C7H8NNaO3S — CID 23690703

IUPACsodium N-methyl-N-phenylsulfamate
SMILESCN(c1ccccc1)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C7H9NO3S.Na/c1-8(12(9,10)11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyIQXFXZKKABHGRN-UHFFFAOYSA-M
MW209.20 g/mol
LogP-2.41
Rot. Bonds2

About sodium N-methyl-N-phenylsulfamate

sodium N-methyl-N-phenylsulfamate (PubChem CID 23690703) has the molecular formula C7H8NNaO3S and a molecular weight of 209.20 g/mol. Its IUPAC name is sodium N-methyl-N-phenylsulfamate.

Molecular Properties

Compound Namesodium N-methyl-N-phenylsulfamate
PubChem CID23690703
Molecular FormulaC7H8NNaO3S
Molecular Weight209.20 g/mol
Exact Mass209.01
IUPAC Namesodium N-methyl-N-phenylsulfamate
SMILESCN(c1ccccc1)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C7H9NO3S.Na/c1-8(12(9,10)11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyIQXFXZKKABHGRN-UHFFFAOYSA-M
XLogP-2.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium N-methyl-N-phenylsulfamate?
The IUPAC name of sodium N-methyl-N-phenylsulfamate (CID 23690703) is sodium N-methyl-N-phenylsulfamate.
What is the SMILES notation for sodium N-methyl-N-phenylsulfamate?
The canonical SMILES for sodium N-methyl-N-phenylsulfamate is CN(c1ccccc1)S(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-methyl-N-phenylsulfamate?
The InChIKey is IQXFXZKKABHGRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO3S.Na/c1-8(12(9,10)11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,9,10,11);/q;+1/p-1.
What are the key properties of sodium N-methyl-N-phenylsulfamate?
sodium N-methyl-N-phenylsulfamate has a molecular weight of 209.20 g/mol, XLogP of -2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-methyl-N-phenylsulfamate is sourced from PubChem (CID 23690703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).