N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide

C16H16N2O6S — CID 156816970

IUPACN-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide
SMILESO=C(CCOCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O6S/c19-16(10-11-24-12-13-4-2-1-3-5-13)17-25(22,23)15-8-6-14(7-9-15)18(20)21/h1-9H,10-12H2,(H,17,19)
InChIKeyVAHVUDRDEYMIPY-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.01
Rot. Bonds8

About N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide

N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide (PubChem CID 156816970) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide
PubChem CID156816970
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC NameN-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide
SMILESO=C(CCOCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O6S/c19-16(10-11-24-12-13-4-2-1-3-5-13)17-25(22,23)15-8-6-14(7-9-15)18(20)21/h1-9H,10-12H2,(H,17,19)
InChIKeyVAHVUDRDEYMIPY-UHFFFAOYSA-N
XLogP2.01
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethylsulfonyl-3-phenylmethoxypropanamide
CID 156816974
N'-(benzenesulfonyl)-N-(4-nitrophenyl)propanediamide
CID 135052001
N-(4-nitrophenyl)sulfonylpentanamide
CID 162405454
4-nitro-N-(2-phenylmethoxyethyl)benzamide
CID 99818504
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
1-nitro-4-(3-phenylmethoxypropoxy)benzene
CID 15012606
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
benzyl N-[(1S,2S)-2-[(4-nitrophenyl)sulfonylamino]cyclohexyl]carbamate
CID 177357731
(2-methyl-4-phenylmethoxybutyl) 4-nitrobenzenesulfonate
CID 138560276
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
benzyl N-(4-nitroanilino)carbamate
CID 101274161

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide?
The IUPAC name of N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide (CID 156816970) is N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide.
What is the SMILES notation for N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide?
The canonical SMILES for N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide is O=C(CCOCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide?
The InChIKey is VAHVUDRDEYMIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c19-16(10-11-24-12-13-4-2-1-3-5-13)17-25(22,23)15-8-6-14(7-9-15)18(20)21/h1-9H,10-12H2,(H,17,19).
What are the key properties of N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide?
N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide has a molecular weight of 364.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide is sourced from PubChem (CID 156816970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).