sodium N-(5-methyl-2-pyridinyl)sulfamate

C6H7N2NaO3S — CID 102006544

IUPACsodium N-(5-methyl-2-pyridinyl)sulfamate
SMILESCc1ccc(NS(=O)(=O)[O-])nc1.[Na+]
InChIInChI=1S/C6H8N2O3S.Na/c1-5-2-3-6(7-4-5)8-12(9,10)11;/h2-4H,1H3,(H,7,8)(H,9,10,11);/q;+1/p-1
InChIKeyISZWZVPDXDEUGN-UHFFFAOYSA-M
MW210.19 g/mol
LogP-2.73
Rot. Bonds2

About sodium N-(5-methyl-2-pyridinyl)sulfamate

sodium N-(5-methyl-2-pyridinyl)sulfamate (PubChem CID 102006544) has the molecular formula C6H7N2NaO3S and a molecular weight of 210.19 g/mol. Its IUPAC name is sodium N-(5-methyl-2-pyridinyl)sulfamate.

Molecular Properties

Compound Namesodium N-(5-methyl-2-pyridinyl)sulfamate
PubChem CID102006544
Molecular FormulaC6H7N2NaO3S
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Namesodium N-(5-methyl-2-pyridinyl)sulfamate
SMILESCc1ccc(NS(=O)(=O)[O-])nc1.[Na+]
InChIInChI=1S/C6H8N2O3S.Na/c1-5-2-3-6(7-4-5)8-12(9,10)11;/h2-4H,1H3,(H,7,8)(H,9,10,11);/q;+1/p-1
InChIKeyISZWZVPDXDEUGN-UHFFFAOYSA-M
XLogP-2.73
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-2.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 29054363
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
CID 110454365
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
4-(bromomethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 65481784
2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
CID 116815095
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051

Frequently Asked Questions

What is the IUPAC name of sodium N-(5-methyl-2-pyridinyl)sulfamate?
The IUPAC name of sodium N-(5-methyl-2-pyridinyl)sulfamate (CID 102006544) is sodium N-(5-methyl-2-pyridinyl)sulfamate.
What is the SMILES notation for sodium N-(5-methyl-2-pyridinyl)sulfamate?
The canonical SMILES for sodium N-(5-methyl-2-pyridinyl)sulfamate is Cc1ccc(NS(=O)(=O)[O-])nc1.[Na+].
What is the InChIKey of sodium N-(5-methyl-2-pyridinyl)sulfamate?
The InChIKey is ISZWZVPDXDEUGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O3S.Na/c1-5-2-3-6(7-4-5)8-12(9,10)11;/h2-4H,1H3,(H,7,8)(H,9,10,11);/q;+1/p-1.
What are the key properties of sodium N-(5-methyl-2-pyridinyl)sulfamate?
sodium N-(5-methyl-2-pyridinyl)sulfamate has a molecular weight of 210.19 g/mol, XLogP of -2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(5-methyl-2-pyridinyl)sulfamate is sourced from PubChem (CID 102006544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).