2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide

C15H15N3O5S — CID 1311142

IUPAC2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15N3O5S/c1-24(22,23)17(13-7-3-2-4-8-13)11-15(19)16-12-6-5-9-14(10-12)18(20)21/h2-10H,11H2,1H3,(H,16,19)
InChIKeyBSZMODWZYAUZRA-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.00
Rot. Bonds6

About 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide

2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide (PubChem CID 1311142) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
PubChem CID1311142
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15N3O5S/c1-24(22,23)17(13-7-3-2-4-8-13)11-15(19)16-12-6-5-9-14(10-12)18(20)21/h2-10H,11H2,1H3,(H,16,19)
InChIKeyBSZMODWZYAUZRA-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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-[2-(morpholin-4-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide
CID 887128
2-(azepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 972890
N~1~-cyclopentyl-N~2~-(2-methyl-5-nitrophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2948835
N-(3-{[(2-nitrophenyl)sulfonyl]amino}phenyl)acetamide
CID 556679
N-(4-{[(4-fluoro-3-nitrophenyl)amino]sulfonyl}phenyl)acetamide
CID 1118251
N~2~-[(4-methylphenyl)sulfonyl]-N~1~-(3-nitrophenyl)glycinamide
CID 893116
N-(3-fluorophenyl)-N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)glycinamide
CID 1309500
N~1~-[4-(acetylamino)phenyl]-N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)glycinamide
CID 1317768
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 2174949
N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)-N~1~-(2-phenylethyl)glycinamide
CID 2176116
N-(3-nitrophenyl)-2-oxo-2-(1-piperidinyl)acetamide
CID 2193983
2-[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-N-(3-nitrophenyl)acetamide
CID 2549212

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide (CID 1311142) is 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide?
The InChIKey is BSZMODWZYAUZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-24(22,23)17(13-7-3-2-4-8-13)11-15(19)16-12-6-5-9-14(10-12)18(20)21/h2-10H,11H2,1H3,(H,16,19).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide?
2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide has a molecular weight of 349.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 1311142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).