2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide

C9H9N3O3S — CID 154131692

IUPAC2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ncco1
InChIInChI=1S/C9H9N3O3S/c10-7-3-1-2-4-8(7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
InChIKeyNJUJKTKHOALXGH-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.06
Rot. Bonds3

About 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide

2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 154131692) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID154131692
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ncco1
InChIInChI=1S/C9H9N3O3S/c10-7-3-1-2-4-8(7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
InChIKeyNJUJKTKHOALXGH-UHFFFAOYSA-N
XLogP1.06
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037
2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide
CID 114052205
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657
2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 28590099
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide (CID 154131692) is 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1ncco1.
What is the InChIKey of 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is NJUJKTKHOALXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-7-3-1-2-4-8(7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12).
What are the key properties of 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide?
2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 239.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 154131692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).