4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide

C13H11N3O3S — CID 141199449

IUPAC4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide
SMILESNc1nc2cccc(-c3ccc(S(N)(=O)=O)cc3)c2o1
InChIInChI=1S/C13H11N3O3S/c14-13-16-11-3-1-2-10(12(11)19-13)8-4-6-9(7-5-8)20(15,17)18/h1-7H,(H2,14,16)(H2,15,17,18)
InChIKeyJPIMYXYSLMPCBO-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.72
Rot. Bonds2

About 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide

4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide (PubChem CID 141199449) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide
PubChem CID141199449
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide
SMILESNc1nc2cccc(-c3ccc(S(N)(=O)=O)cc3)c2o1
InChIInChI=1S/C13H11N3O3S/c14-13-16-11-3-1-2-10(12(11)19-13)8-4-6-9(7-5-8)20(15,17)18/h1-7H,(H2,14,16)(H2,15,17,18)
InChIKeyJPIMYXYSLMPCBO-UHFFFAOYSA-N
XLogP1.72
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminophenyl)benzenesulfonamide
CID 18545753
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
7-(chloromethyl)-1,3-benzoxazol-2-amine
CID 119016516
2-amino-1,3-benzoxazole-7-carbonitrile
CID 75488532
7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
CID 90645217
4-(5-methylquinolin-2-yl)benzenesulfonamide
CID 164550119
4-(2-nitrophenyl)benzenesulfonamide
CID 102354114
4-(2-cyanophenyl)benzenesulfonamide
CID 102354115
6-(2-amino-1,3-benzoxazol-7-yl)-3-(azetidin-3-ylsulfanyl)-N'-hydrazinyl-2-sulfamoylbenzenecarboximidamide
CID 145214771
4-(2-ethyl-3-pyridinyl)benzenesulfonamide
CID 135215763
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042
4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701527

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide?
The IUPAC name of 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide (CID 141199449) is 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide is Nc1nc2cccc(-c3ccc(S(N)(=O)=O)cc3)c2o1.
What is the InChIKey of 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide?
The InChIKey is JPIMYXYSLMPCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-13-16-11-3-1-2-10(12(11)19-13)8-4-6-9(7-5-8)20(15,17)18/h1-7H,(H2,14,16)(H2,15,17,18).
What are the key properties of 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide?
4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide is sourced from PubChem (CID 141199449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).