disodium;N-(3-oxidophenyl)sulfamate

C6H5NNa2O4S — CID 174228290

IUPACdisodium;N-(3-oxidophenyl)sulfamate
SMILESO=S(=O)([O-])Nc1cccc([O-])c1.[Na+].[Na+]
InChIInChI=1S/C6H7NO4S.2Na/c8-6-3-1-2-5(4-6)7-12(9,10)11;;/h1-4,7-8H,(H,9,10,11);;/q;2*+1/p-2
InChIKeySNZUDZVQJCOSND-UHFFFAOYSA-L
MW233.16 g/mol
LogP-6.36
Rot. Bonds2

About disodium;N-(3-oxidophenyl)sulfamate

disodium;N-(3-oxidophenyl)sulfamate (PubChem CID 174228290) has the molecular formula C6H5NNa2O4S and a molecular weight of 233.16 g/mol. Its IUPAC name is disodium;N-(3-oxidophenyl)sulfamate.

Molecular Properties

Compound Namedisodium;N-(3-oxidophenyl)sulfamate
PubChem CID174228290
Molecular FormulaC6H5NNa2O4S
Molecular Weight233.16 g/mol
Exact Mass232.97
IUPAC Namedisodium;N-(3-oxidophenyl)sulfamate
SMILESO=S(=O)([O-])Nc1cccc([O-])c1.[Na+].[Na+]
InChIInChI=1S/C6H7NO4S.2Na/c8-6-3-1-2-5(4-6)7-12(9,10)11;;/h1-4,7-8H,(H,9,10,11);;/q;2*+1/p-2
InChIKeySNZUDZVQJCOSND-UHFFFAOYSA-L
XLogP-6.36
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.16
LogP ≤ 5-6.36
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

sodium N-(3-phenoxyphenyl)sulfamate
CID 23683372
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
disodium;N-[4-[4-(sulfonatoamino)phenyl]phenyl]sulfamate
CID 134117524
sodium N-(3-ethoxycarbonylphenyl)sulfamate
CID 23679809
lithium 3-(methanesulfonamido)benzenesulfonate
CID 58858821
N-(4-phenylphenyl)sulfamate
CID 101234676
sodium N-[2,6-bis(trifluoromethyl)-4-pyridinyl]sulfamate
CID 102006553
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
aluminum;3-fluorophenolate;bis(trifluoromethanesulfonate)
CID 158327845
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
sodium N-[3,5-bis(methoxycarbonyl)phenyl]sulfamate
CID 23674132
sodium;sulfuric acid;phenoxide
CID 160963449

Frequently Asked Questions

What is the IUPAC name of disodium;N-(3-oxidophenyl)sulfamate?
The IUPAC name of disodium;N-(3-oxidophenyl)sulfamate (CID 174228290) is disodium;N-(3-oxidophenyl)sulfamate.
What is the SMILES notation for disodium;N-(3-oxidophenyl)sulfamate?
The canonical SMILES for disodium;N-(3-oxidophenyl)sulfamate is O=S(=O)([O-])Nc1cccc([O-])c1.[Na+].[Na+].
What is the InChIKey of disodium;N-(3-oxidophenyl)sulfamate?
The InChIKey is SNZUDZVQJCOSND-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7NO4S.2Na/c8-6-3-1-2-5(4-6)7-12(9,10)11;;/h1-4,7-8H,(H,9,10,11);;/q;2*+1/p-2.
What are the key properties of disodium;N-(3-oxidophenyl)sulfamate?
disodium;N-(3-oxidophenyl)sulfamate has a molecular weight of 233.16 g/mol, XLogP of -6.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-(3-oxidophenyl)sulfamate is sourced from PubChem (CID 174228290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).