2-[(2-nitrophenyl)sulfonylamino]benzamide

C13H11N3O5S — CID 819659

IUPAC2-[(2-nitrophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O5S/c14-13(17)9-5-1-2-6-10(9)15-22(20,21)12-8-4-3-7-11(12)16(18)19/h1-8,15H,(H2,14,17)
InChIKeyPIUVGHRDIVTALT-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2-nitrophenyl)sulfonylamino]benzamide

2-[(2-nitrophenyl)sulfonylamino]benzamide (PubChem CID 819659) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(2-nitrophenyl)sulfonylamino]benzamide
PubChem CID819659
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name2-[(2-nitrophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O5S/c14-13(17)9-5-1-2-6-10(9)15-22(20,21)12-8-4-3-7-11(12)16(18)19/h1-8,15H,(H2,14,17)
InChIKeyPIUVGHRDIVTALT-UHFFFAOYSA-N
XLogP1.49
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.49
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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Related Compounds

2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 7933003
N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
CID 39837774
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid
CID 4830628
2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 17256523
N-(2-formylphenyl)-2-nitrobenzenesulfonamide
CID 86621161
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 21369135

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[(2-nitrophenyl)sulfonylamino]benzamide (CID 819659) is 2-[(2-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(2-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(2-nitrophenyl)sulfonylamino]benzamide is NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is PIUVGHRDIVTALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c14-13(17)9-5-1-2-6-10(9)15-22(20,21)12-8-4-3-7-11(12)16(18)19/h1-8,15H,(H2,14,17).
What are the key properties of 2-[(2-nitrophenyl)sulfonylamino]benzamide?
2-[(2-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 321.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 819659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).