2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide

C15H14N2O5S — CID 7543830

IUPAC2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O5S/c1-11-2-8-14(9-3-11)23(21,22)10-15(18)16-12-4-6-13(7-5-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyPYUNCTCMJADHOQ-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide

2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide (PubChem CID 7543830) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide
PubChem CID7543830
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O5S/c1-11-2-8-14(9-3-11)23(21,22)10-15(18)16-12-4-6-13(7-5-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyPYUNCTCMJADHOQ-UHFFFAOYSA-N
XLogP2.32
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.32
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

N-(4-(((4-Methylphenyl)sulfonyl)amino)-3-nitrophenyl)acetamide
CID 3091011
N-(4-(4-Nitrobenzene-1-sulfonyl)phenyl)acetamide
CID 232557
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
2-[(3-methylphenyl)sulfanyl]-N-(2-nitrophenyl)acetamide
CID 4105950
N-(4-((4-methylphenyl)sulfonyl)phenyl)acetamide
CID 272502
N-[4-(acetylamino)phenyl]-2-[(4-methylphenyl)thio]acetamide
CID 893690
2-[(4-methylphenyl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 977816
N-[3-(acetylamino)phenyl]-2-[2-nitro-4-(trifluoromethyl)phenylthio]acetamide
CID 1320228
N-[4-(acetylamino)phenyl]-2-[2-nitro-4-(trifluoromethyl)phenylthio]acetamide
CID 1321687
N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitrophenyl]acetamide
CID 4051043
N-(4-sulfamoylphenyl)-3-tosylpropanamide
CID 7254292
N-(4-sulfamoylphenyl)-2-tosylacetamide
CID 7543836

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide (CID 7543830) is 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide?
The InChIKey is PYUNCTCMJADHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-11-2-8-14(9-3-11)23(21,22)10-15(18)16-12-4-6-13(7-5-12)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 7543830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).