N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid

C15H11N3O8S — CID 159771520

IUPACN-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1.O=C(O)C(=O)N=S(=O)=O
InChIInChI=1S/C13H10N2O3.C2HNO5S/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18;4-1(2(5)6)3-9(7)8/h1-9H,(H,14,16);(H,5,6)
InChIKeyNGECBYQYLGPFOU-UHFFFAOYSA-N
MW393.33 g/mol
LogP1.51
Rot. Bonds3

About N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid

N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid (PubChem CID 159771520) has the molecular formula C15H11N3O8S and a molecular weight of 393.33 g/mol. Its IUPAC name is N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid.

Molecular Properties

Compound NameN-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid
PubChem CID159771520
Molecular FormulaC15H11N3O8S
Molecular Weight393.33 g/mol
Exact Mass393.03
IUPAC NameN-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1.O=C(O)C(=O)N=S(=O)=O
InChIInChI=1S/C13H10N2O3.C2HNO5S/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18;4-1(2(5)6)3-9(7)8/h1-9H,(H,14,16);(H,5,6)
InChIKeyNGECBYQYLGPFOU-UHFFFAOYSA-N
XLogP1.51
TPSA173.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-nitrophenyl)-3-sulfonylurea
CID 87460922
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
N'-(2-nitrophenyl)benzohydrazide
CID 3718054
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424
N-[3-(2-nitroanilino)-3-oxopropyl]benzamide
CID 62707198
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961
N-(2,3-dimethyl-4-nitrophenyl)benzamide
CID 156690206
N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
CID 4862006
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
CID 2891364

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid?
The IUPAC name of N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid (CID 159771520) is N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid.
What is the SMILES notation for N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid?
The canonical SMILES for N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid is O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1.O=C(O)C(=O)N=S(=O)=O.
What is the InChIKey of N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid?
The InChIKey is NGECBYQYLGPFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3.C2HNO5S/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18;4-1(2(5)6)3-9(7)8/h1-9H,(H,14,16);(H,5,6).
What are the key properties of N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid?
N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid has a molecular weight of 393.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid is sourced from PubChem (CID 159771520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).