2-nitro-N-(2-nitrophenyl)benzenesulfonamide

C12H9N3O6S — CID 2827773

IUPAC2-nitro-N-(2-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O6S/c16-14(17)10-6-2-1-5-9(10)13-22(20,21)12-8-4-3-7-11(12)15(18)19/h1-8,13H
InChIKeyNGHQCODQNBAKLD-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.30
Rot. Bonds5

About 2-nitro-N-(2-nitrophenyl)benzenesulfonamide

2-nitro-N-(2-nitrophenyl)benzenesulfonamide (PubChem CID 2827773) has the molecular formula C12H9N3O6S and a molecular weight of 323.29 g/mol. Its IUPAC name is 2-nitro-N-(2-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-(2-nitrophenyl)benzenesulfonamide
PubChem CID2827773
Molecular FormulaC12H9N3O6S
Molecular Weight323.29 g/mol
Exact Mass323.02
IUPAC Name2-nitro-N-(2-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O6S/c16-14(17)10-6-2-1-5-9(10)13-22(20,21)12-8-4-3-7-11(12)15(18)19/h1-8,13H
InChIKeyNGHQCODQNBAKLD-UHFFFAOYSA-N
XLogP2.30
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
CID 39837774
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
N-(2-formylphenyl)-2-nitrobenzenesulfonamide
CID 86621161
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4142655
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(2-butylphenyl)-2-nitrobenzenesulfonamide
CID 22774386
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(4-fluoro-2-iodophenyl)-2-nitrobenzenesulfonamide
CID 79758552

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-nitrophenyl)benzenesulfonamide?
The IUPAC name of 2-nitro-N-(2-nitrophenyl)benzenesulfonamide (CID 2827773) is 2-nitro-N-(2-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-(2-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 2-nitro-N-(2-nitrophenyl)benzenesulfonamide is O=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(2-nitrophenyl)benzenesulfonamide?
The InChIKey is NGHQCODQNBAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O6S/c16-14(17)10-6-2-1-5-9(10)13-22(20,21)12-8-4-3-7-11(12)15(18)19/h1-8,13H.
What are the key properties of 2-nitro-N-(2-nitrophenyl)benzenesulfonamide?
2-nitro-N-(2-nitrophenyl)benzenesulfonamide has a molecular weight of 323.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 2827773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).