phenol;sulfamic acid

C6H9NO4S — CID 20568806

IUPACphenol;sulfamic acid
SMILESNS(=O)(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.H3NO3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5,7H;(H3,1,2,3,4)
InChIKeyDGIOYPXTVGRNPU-UHFFFAOYSA-N
MW191.21 g/mol
LogP0.14
Rot. Bonds

About phenol;sulfamic acid

phenol;sulfamic acid (PubChem CID 20568806) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is phenol;sulfamic acid.

Molecular Properties

Compound Namephenol;sulfamic acid
PubChem CID20568806
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Namephenol;sulfamic acid
SMILESNS(=O)(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.H3NO3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5,7H;(H3,1,2,3,4)
InChIKeyDGIOYPXTVGRNPU-UHFFFAOYSA-N
XLogP0.14
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diamine;phenol;sulfuric acid
CID 70504125
formonitrile;phenol;sulfuric acid
CID 174705833
CID 11441475
CID 11441475
molecular oxygen;phenol
CID 141080591
hydrazine;phenol
CID 70470344
chlorobenzene;sulfamic acid
CID 70097834
methyl hydrogen sulfate;phenol
CID 174688864
naphthalene;sulfamic acid
CID 67895351
phenol;thiohydroxylamine
CID 175057417
aluminum phenol
CID 19023057
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CID 159904044
phenol;tantalum
CID 19915613

Frequently Asked Questions

What is the IUPAC name of phenol;sulfamic acid?
The IUPAC name of phenol;sulfamic acid (CID 20568806) is phenol;sulfamic acid.
What is the SMILES notation for phenol;sulfamic acid?
The canonical SMILES for phenol;sulfamic acid is NS(=O)(=O)O.Oc1ccccc1.
What is the InChIKey of phenol;sulfamic acid?
The InChIKey is DGIOYPXTVGRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.H3NO3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5,7H;(H3,1,2,3,4).
What are the key properties of phenol;sulfamic acid?
phenol;sulfamic acid has a molecular weight of 191.21 g/mol, XLogP of 0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;sulfamic acid is sourced from PubChem (CID 20568806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).