N-(2-nitrophenyl)sulfonylbenzamide

C13H10N2O5S — CID 975306

IUPACN-(2-nitrophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H10N2O5S/c16-13(10-6-2-1-3-7-10)14-21(19,20)12-9-5-4-8-11(12)15(17)18/h1-9H,(H,14,16)
InChIKeyKQGRZHFVXCYDSR-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.71
Rot. Bonds4

About N-(2-nitrophenyl)sulfonylbenzamide

N-(2-nitrophenyl)sulfonylbenzamide (PubChem CID 975306) has the molecular formula C13H10N2O5S and a molecular weight of 306.30 g/mol. Its IUPAC name is N-(2-nitrophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)sulfonylbenzamide
PubChem CID975306
Molecular FormulaC13H10N2O5S
Molecular Weight306.30 g/mol
Exact Mass306.03
IUPAC NameN-(2-nitrophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H10N2O5S/c16-13(10-6-2-1-3-7-10)14-21(19,20)12-9-5-4-8-11(12)15(17)18/h1-9H,(H,14,16)
InChIKeyKQGRZHFVXCYDSR-UHFFFAOYSA-N
XLogP1.71
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 N-(2-nitrophenyl)sulfonylbenzamide?
The IUPAC name of N-(2-nitrophenyl)sulfonylbenzamide (CID 975306) is N-(2-nitrophenyl)sulfonylbenzamide.
What is the SMILES notation for N-(2-nitrophenyl)sulfonylbenzamide?
The canonical SMILES for N-(2-nitrophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(2-nitrophenyl)sulfonylbenzamide?
The InChIKey is KQGRZHFVXCYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S/c16-13(10-6-2-1-3-7-10)14-21(19,20)12-9-5-4-8-11(12)15(17)18/h1-9H,(H,14,16).
What are the key properties of N-(2-nitrophenyl)sulfonylbenzamide?
N-(2-nitrophenyl)sulfonylbenzamide has a molecular weight of 306.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)sulfonylbenzamide is sourced from PubChem (CID 975306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).