N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide

C14H13N3O5S — CID 808022

IUPACN-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O5S/c1-10(18)15-11-6-2-3-7-12(11)16-23(21,22)14-9-5-4-8-13(14)17(19)20/h2-9,16H,1H3,(H,15,18)
InChIKeyLMTRLUVBAIFQQK-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.35
Rot. Bonds5

About N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide

N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 808022) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide
PubChem CID808022
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC NameN-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O5S/c1-10(18)15-11-6-2-3-7-12(11)16-23(21,22)14-9-5-4-8-13(14)17(19)20/h2-9,16H,1H3,(H,15,18)
InChIKeyLMTRLUVBAIFQQK-UHFFFAOYSA-N
XLogP2.35
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.35
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

Sulfanitran
CID 5334
Benzenesulfonamide, 3-nitro-4-(phenylamino)-
CID 82980
N-(4-(((4-Methylphenyl)sulfonyl)amino)-3-nitrophenyl)acetamide
CID 3091011
N-(4-(4-Nitrobenzene-1-sulfonyl)phenyl)acetamide
CID 232557
N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
CID 3854043
N-(3-{[(2-nitrophenyl)sulfonyl]amino}phenyl)acetamide
CID 556679
N-(4-{[(4-fluoro-3-nitrophenyl)amino]sulfonyl}phenyl)acetamide
CID 1118251
N-[4-[(2-nitrophenyl)sulfamoyl]phenyl]acetamide
CID 346529
N-Isobutyl-2-[(2-nitro-benzenesulfonyl)-phenyl-amino]-acetamide
CID 2252291
N~1~-[4-(acetylamino)phenyl]-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2943499
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-tert-butylacetamide
CID 3119038
2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 891802

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide (CID 808022) is N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is LMTRLUVBAIFQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-10(18)15-11-6-2-3-7-12(11)16-23(21,22)14-9-5-4-8-13(14)17(19)20/h2-9,16H,1H3,(H,15,18).
What are the key properties of N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide?
N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 335.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 808022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).