2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide

C11H14FN3O5S — CID 82840554

IUPAC2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C11H14FN3O5S/c1-2-5-13-11(16)7-14-21(19,20)8-3-4-10(15(17)18)9(12)6-8/h3-4,6,14H,2,5,7H2,1H3,(H,13,16)
InChIKeyXILXXVVEUWSLHI-UHFFFAOYSA-N
MW319.31 g/mol
LogP0.54
Rot. Bonds7

About 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide

2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide (PubChem CID 82840554) has the molecular formula C11H14FN3O5S and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide
PubChem CID82840554
Molecular FormulaC11H14FN3O5S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C11H14FN3O5S/c1-2-5-13-11(16)7-14-21(19,20)8-3-4-10(15(17)18)9(12)6-8/h3-4,6,14H,2,5,7H2,1H3,(H,13,16)
InChIKeyXILXXVVEUWSLHI-UHFFFAOYSA-N
XLogP0.54
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
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-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
CID 82839125
2-[(5-bromo-2-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 61016948
N-(2-bromoprop-2-enyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 113465012
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 8799951
N-(2-bromoethyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82854741
3-fluoro-N-(3-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 82854209
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methylpropanoic acid
CID 82844659
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide
CID 82847101
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
N-[2-(dimethylamino)propyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844132
3-fluoro-N-(5-methylhexyl)-4-nitrobenzenesulfonamide
CID 82847480
(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
CID 82843747

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide (CID 82840554) is 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is XILXXVVEUWSLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5S/c1-2-5-13-11(16)7-14-21(19,20)8-3-4-10(15(17)18)9(12)6-8/h3-4,6,14H,2,5,7H2,1H3,(H,13,16).
What are the key properties of 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide?
2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 319.31 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 82840554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).