2-methyl-2-(3-nitrophenyl)sulfonylpropanamide

C10H12N2O5S — CID 118665788

IUPAC2-methyl-2-(3-nitrophenyl)sulfonylpropanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O5S/c1-10(2,9(11)13)18(16,17)8-5-3-4-7(6-8)12(14)15/h3-6H,1-2H3,(H2,11,13)
InChIKeyIJFHCGVVAHBPBQ-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.63
Rot. Bonds4

About 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide

2-methyl-2-(3-nitrophenyl)sulfonylpropanamide (PubChem CID 118665788) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-2-(3-nitrophenyl)sulfonylpropanamide
PubChem CID118665788
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name2-methyl-2-(3-nitrophenyl)sulfonylpropanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O5S/c1-10(2,9(11)13)18(16,17)8-5-3-4-7(6-8)12(14)15/h3-6H,1-2H3,(H2,11,13)
InChIKeyIJFHCGVVAHBPBQ-UHFFFAOYSA-N
XLogP0.63
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.63
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

1-nitro-3-(trifluoromethylsulfonyl)benzene
CID 5052292
3-nitrobenzenesulfonic acid
CID 7387
azane;3-nitrobenzenesulfonic acid
CID 158094440
silver 3-nitrobenzenesulfonate
CID 139842266
(2S)-2-aminopropanoic acid;3-nitrobenzenesulfonic acid
CID 88641735
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 104626488
ethylcarbamoyl 3-nitrobenzenesulfonate
CID 175569373
magnesium;hydride;3-nitrobenzenesulfonic acid
CID 175405525
sodium;hydride;3-nitrobenzenesulfonic acid
CID 173005538
2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
CID 106169538
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
2-hydroxy-2-methylpropanamide;nitrobenzene
CID 174384140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide?
The IUPAC name of 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide (CID 118665788) is 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide.
What is the SMILES notation for 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide?
The canonical SMILES for 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide is CC(C)(C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide?
The InChIKey is IJFHCGVVAHBPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-10(2,9(11)13)18(16,17)8-5-3-4-7(6-8)12(14)15/h3-6H,1-2H3,(H2,11,13).
What are the key properties of 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide?
2-methyl-2-(3-nitrophenyl)sulfonylpropanamide has a molecular weight of 272.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-nitrophenyl)sulfonylpropanamide is sourced from PubChem (CID 118665788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).