[2-(hydroxyamino)phenyl]sulfonylurea

C7H9N3O4S — CID 174363947

IUPAC[2-(hydroxyamino)phenyl]sulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ccccc1NO
InChIInChI=1S/C7H9N3O4S/c8-7(11)10-15(13,14)6-4-2-1-3-5(6)9-12/h1-4,9,12H,(H3,8,10,11)
InChIKeyGXYDGQAABIRYHM-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.16
Rot. Bonds3

About [2-(hydroxyamino)phenyl]sulfonylurea

[2-(hydroxyamino)phenyl]sulfonylurea (PubChem CID 174363947) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is [2-(hydroxyamino)phenyl]sulfonylurea.

Molecular Properties

Compound Name[2-(hydroxyamino)phenyl]sulfonylurea
PubChem CID174363947
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name[2-(hydroxyamino)phenyl]sulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ccccc1NO
InChIInChI=1S/C7H9N3O4S/c8-7(11)10-15(13,14)6-4-2-1-3-5(6)9-12/h1-4,9,12H,(H3,8,10,11)
InChIKeyGXYDGQAABIRYHM-UHFFFAOYSA-N
XLogP-0.16
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl)sulfonylurea
CID 20975378
[2-(prop-2-enylamino)phenyl]sulfonylurea
CID 67715537
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
(2-propylsulfanylphenyl)sulfonylurea
CID 117059597
N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
CID 58715998
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea
CID 118046361
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
4-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788216
1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
CID 744684
[(E)-2-phenylethenyl]sulfonylurea
CID 22750927

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxyamino)phenyl]sulfonylurea?
The IUPAC name of [2-(hydroxyamino)phenyl]sulfonylurea (CID 174363947) is [2-(hydroxyamino)phenyl]sulfonylurea.
What is the SMILES notation for [2-(hydroxyamino)phenyl]sulfonylurea?
The canonical SMILES for [2-(hydroxyamino)phenyl]sulfonylurea is NC(=O)NS(=O)(=O)c1ccccc1NO.
What is the InChIKey of [2-(hydroxyamino)phenyl]sulfonylurea?
The InChIKey is GXYDGQAABIRYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c8-7(11)10-15(13,14)6-4-2-1-3-5(6)9-12/h1-4,9,12H,(H3,8,10,11).
What are the key properties of [2-(hydroxyamino)phenyl]sulfonylurea?
[2-(hydroxyamino)phenyl]sulfonylurea has a molecular weight of 231.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxyamino)phenyl]sulfonylurea is sourced from PubChem (CID 174363947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).