2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide

C9H9N3O4S — CID 61369143

IUPAC2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1
InChIInChI=1S/C9H9N3O4S/c10-5-1-2-6-7(3-5)16-9(12-6)17(14,15)4-8(11)13/h1-3H,4,10H2,(H2,11,13)
InChIKeyXGTAVYKNCRSGLH-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.33
Rot. Bonds3

About 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide

2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide (PubChem CID 61369143) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide
PubChem CID61369143
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1
InChIInChI=1S/C9H9N3O4S/c10-5-1-2-6-7(3-5)16-9(12-6)17(14,15)4-8(11)13/h1-3H,4,10H2,(H2,11,13)
InChIKeyXGTAVYKNCRSGLH-UHFFFAOYSA-N
XLogP-0.33
TPSA129.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide
CID 61369532
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61367241
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide
CID 61367431
2-(2-propylsulfonylethylsulfonyl)-1,3-benzoxazol-6-amine
CID 106728932
2-(2-phenylethylsulfonyl)-1,3-benzoxazol-6-amine
CID 61369531
2-(pyridin-3-ylmethylsulfonyl)-1,3-benzoxazol-6-amine
CID 61367044
2-[(5-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-diethylacetamide
CID 61368399
2-[(5-methyl-3-pyridinyl)methylsulfonyl]-1,3-benzoxazol-6-amine
CID 102878453
2-pentan-2-ylsulfonyl-1,3-benzoxazol-6-amine
CID 114012818
2-(2-methylsulfonylethylsulfonyl)-1,3-benzoxazol-5-amine
CID 61369152
2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide
CID 114231794
2-(3-methylsulfonylpropylsulfonyl)-1,3-benzoxazol-5-amine
CID 63195632

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide?
The IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide (CID 61369143) is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide is NC(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide?
The InChIKey is XGTAVYKNCRSGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c10-5-1-2-6-7(3-5)16-9(12-6)17(14,15)4-8(11)13/h1-3H,4,10H2,(H2,11,13).
What are the key properties of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide?
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide has a molecular weight of 255.25 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide is sourced from PubChem (CID 61369143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).