1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide

C16H18N2O4S — CID 133235825

IUPAC1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C16H18N2O4S/c1-13(15-7-3-2-4-8-15)11-17-23(21,22)12-14-6-5-9-16(10-14)18(19)20/h2-10,13,17H,11-12H2,1H3
InChIKeyJZFHPRUVJLTFGZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.82
Rot. Bonds7

About 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide

1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide (PubChem CID 133235825) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide
PubChem CID133235825
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C16H18N2O4S/c1-13(15-7-3-2-4-8-15)11-17-23(21,22)12-14-6-5-9-16(10-14)18(19)20/h2-10,13,17H,11-12H2,1H3
InChIKeyJZFHPRUVJLTFGZ-UHFFFAOYSA-N
XLogP2.82
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1R)-3-methyl-1-phenylbutyl]-1-(3-nitrophenyl)methanesulfonamide
CID 38020360
N-(1,2-diphenylethyl)-1-(3-nitrophenyl)methanesulfonamide
CID 75431498
N-(2,4-dimethylpentan-3-yl)-1-(3-nitrophenyl)methanesulfonamide
CID 92673912
1-nitro-3-(propan-2-ylsulfonylmethyl)benzene
CID 22502078
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 97088385
N-[2-(dimethylamino)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 76850007
1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
N-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
CID 92672171
N-[(3-nitrophenyl)methylsulfamoyl]ethanamine
CID 59372566
2-methyl-3-[(3-nitrophenyl)methylsulfonyl]propanoic acid
CID 64915526
1-(3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 92682818

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide (CID 133235825) is 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide is CC(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The InChIKey is JZFHPRUVJLTFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-13(15-7-3-2-4-8-15)11-17-23(21,22)12-14-6-5-9-16(10-14)18(19)20/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide?
1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 133235825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).