2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide

C15H15N3O5S — CID 891802

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15N3O5S/c1-17(24(22,23)14-8-3-2-4-9-14)11-15(19)16-12-6-5-7-13(10-12)18(20)21/h2-10H,11H2,1H3,(H,16,19)
InChIKeyYEADLDZAMDKRJI-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.85
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide (PubChem CID 891802) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
PubChem CID891802
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15N3O5S/c1-17(24(22,23)14-8-3-2-4-9-14)11-15(19)16-12-6-5-7-13(10-12)18(20)21/h2-10H,11H2,1H3,(H,16,19)
InChIKeyYEADLDZAMDKRJI-UHFFFAOYSA-N
XLogP1.85
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.85
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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Related Compounds

Sulfanitran
CID 5334
N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 459019
2-(N-(4-bromophenyl)sulfonyl-3-nitroanilino)-N-hydroxyacetamide
CID 168295046
N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 808022
N-(3-{[(2-nitrophenyl)sulfonyl]amino}phenyl)acetamide
CID 556679
N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-phenyloxamide
CID 2883755
N-(1-Methyl-piperidin-4-ylidene-hydrazinocarbonylmethyl)-N-(3-nitro-phenyl)-benzenesulfonamide
CID 1107740
N-(4-{[(4-fluoro-3-nitrophenyl)amino]sulfonyl}phenyl)acetamide
CID 1118251
N~2~-[(4-methylphenyl)sulfonyl]-N~1~-(3-nitrophenyl)glycinamide
CID 893116
CB29 (derivative 19)
CID 17560769
N-[4-[(2-nitrophenyl)sulfamoyl]phenyl]acetamide
CID 346529
2-[Benzenesulfonyl-(3-nitro-phenyl)-amino]-N-(4-methyl-benzyl)-acetamide
CID 1016301

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide (CID 891802) is 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide is CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide?
The InChIKey is YEADLDZAMDKRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-17(24(22,23)14-8-3-2-4-9-14)11-15(19)16-12-6-5-7-13(10-12)18(20)21/h2-10H,11H2,1H3,(H,16,19).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide has a molecular weight of 349.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 891802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).