2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide

C14H13N3O5S — CID 893010

IUPAC2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O5S/c18-14(16-11-5-4-6-12(9-11)17(19)20)10-15-23(21,22)13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,18)
InChIKeyOYDNYPSIOINBEI-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.51
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide

2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide (PubChem CID 893010) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide
PubChem CID893010
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O5S/c18-14(16-11-5-4-6-12(9-11)17(19)20)10-15-23(21,22)13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,18)
InChIKeyOYDNYPSIOINBEI-UHFFFAOYSA-N
XLogP1.51
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide (CID 893010) is 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide is O=C(CNS(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide?
The InChIKey is OYDNYPSIOINBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c18-14(16-11-5-4-6-12(9-11)17(19)20)10-15-23(21,22)13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,18).
What are the key properties of 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide?
2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide has a molecular weight of 335.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 893010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).