2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C11H9N3O5S2 — CID 3160794

IUPAC2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H9N3O5S2/c15-9(13-11-12-6-10(20-11)14(16)17)7-21(18,19)8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,15)
InChIKeyKPXUKMXEYACYRX-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.46
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 3160794) has the molecular formula C11H9N3O5S2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID3160794
Molecular FormulaC11H9N3O5S2
Molecular Weight327.34 g/mol
Exact Mass327.00
IUPAC Name2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H9N3O5S2/c15-9(13-11-12-6-10(20-11)14(16)17)7-21(18,19)8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,15)
InChIKeyKPXUKMXEYACYRX-UHFFFAOYSA-N
XLogP1.46
TPSA119.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 3160794) is 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is KPXUKMXEYACYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S2/c15-9(13-11-12-6-10(20-11)14(16)17)7-21(18,19)8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,15).
What are the key properties of 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3160794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).