3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide

C9H9N3O3S — CID 62903638

IUPAC3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2cnoc2)c1
InChIInChI=1S/C9H9N3O3S/c10-7-2-1-3-9(4-7)16(13,14)12-8-5-11-15-6-8/h1-6,12H,10H2
InChIKeyHLJHSKKZMPZECP-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.06
Rot. Bonds3

About 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide

3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 62903638) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID62903638
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2cnoc2)c1
InChIInChI=1S/C9H9N3O3S/c10-7-2-1-3-9(4-7)16(13,14)12-8-5-11-15-6-8/h1-6,12H,10H2
InChIKeyHLJHSKKZMPZECP-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

3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665
3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62915619
3-amino-N-isoquinolin-6-ylbenzenesulfonamide
CID 122455242
3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 140762991
3-amino-N-(2,1,3-benzoxadiazol-5-yl)benzenesulfonamide
CID 19691907
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 62903638) is 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2cnoc2)c1.
What is the InChIKey of 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is HLJHSKKZMPZECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-7-2-1-3-9(4-7)16(13,14)12-8-5-11-15-6-8/h1-6,12H,10H2.
What are the key properties of 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide?
3-amino-N-(1,2-oxazol-4-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 3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62903638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).