2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide

C15H14N2O5S — CID 7543832

IUPAC2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O5S/c1-11-5-7-14(8-6-11)23(21,22)10-15(18)16-12-3-2-4-13(9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyONDKPXKLOFYQOO-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide

2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide (PubChem CID 7543832) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
PubChem CID7543832
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O5S/c1-11-5-7-14(8-6-11)23(21,22)10-15(18)16-12-3-2-4-13(9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyONDKPXKLOFYQOO-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

2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 126412342
[2-(3-nitroanilino)-2-oxoethyl] 4-methylbenzoate
CID 2506640
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(3-nitrophenyl)acetamide
CID 2235517
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide
CID 9411090
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 26574704
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide (CID 7543832) is 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide?
The InChIKey is ONDKPXKLOFYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-11-5-7-14(8-6-11)23(21,22)10-15(18)16-12-3-2-4-13(9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(3-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-(3-nitrophenyl)acetamide is sourced from PubChem (CID 7543832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).