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

C10H12FN3O5S — CID 82839125

IUPACN-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
SMILESCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H12FN3O5S/c1-2-12-10(15)6-13-20(18,19)7-3-4-9(14(16)17)8(11)5-7/h3-5,13H,2,6H2,1H3,(H,12,15)
InChIKeyHSVBMJYWCXZIHL-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.15
Rot. Bonds6

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

N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide (PubChem CID 82839125) has the molecular formula C10H12FN3O5S and a molecular weight of 305.29 g/mol. Its IUPAC name is N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
PubChem CID82839125
Molecular FormulaC10H12FN3O5S
Molecular Weight305.29 g/mol
Exact Mass305.05
IUPAC NameN-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
SMILESCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H12FN3O5S/c1-2-12-10(15)6-13-20(18,19)7-3-4-9(14(16)17)8(11)5-7/h3-5,13H,2,6H2,1H3,(H,12,15)
InChIKeyHSVBMJYWCXZIHL-UHFFFAOYSA-N
XLogP0.15
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.15
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

2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 82840554
N-(2-bromoprop-2-enyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 113465012
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methylpropanoic acid
CID 82844659
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-ethylacetamide
CID 8800472
(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
CID 82843747
N-(2-bromoethyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82854741
3-fluoro-N-(3-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 82854209
N-[2-(dimethylamino)propyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844132
2-[(5-bromo-2-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 61016948
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108278
2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43398569
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
CID 116791519

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide (CID 82839125) is N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide is CCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is HSVBMJYWCXZIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O5S/c1-2-12-10(15)6-13-20(18,19)7-3-4-9(14(16)17)8(11)5-7/h3-5,13H,2,6H2,1H3,(H,12,15).
What are the key properties of N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide?
N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 305.29 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 82839125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).