2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide

C14H12FN3O5S — CID 50890619

IUPAC2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O5S/c15-10-5-7-11(8-6-10)17(9-14(16)19)24(22,23)13-4-2-1-3-12(13)18(20)21/h1-8H,9H2,(H2,16,19)
InChIKeyPVQHSSOQJSSOKX-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.41
Rot. Bonds6

About 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide

2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 50890619) has the molecular formula C14H12FN3O5S and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID50890619
Molecular FormulaC14H12FN3O5S
Molecular Weight353.33 g/mol
Exact Mass353.05
IUPAC Name2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O5S/c15-10-5-7-11(8-6-10)17(9-14(16)19)24(22,23)13-4-2-1-3-12(13)18(20)21/h1-8H,9H2,(H2,16,19)
InChIKeyPVQHSSOQJSSOKX-UHFFFAOYSA-N
XLogP1.41
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.41
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

N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1318812
N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173681
N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide
CID 50892892
4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51345106
3-(4-chloro-N-(2-nitrophenyl)sulfonylanilino)propanoic acid
CID 50890349
methyl 2-(3-chloro-4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50893192
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571
3-(4-methyl-N-(2-nitrophenyl)sulfonylanilino)propanoic acid
CID 50889885
N-benzyl-N-methyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173687
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 50890619) is 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide is NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is PVQHSSOQJSSOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O5S/c15-10-5-7-11(8-6-10)17(9-14(16)19)24(22,23)13-4-2-1-3-12(13)18(20)21/h1-8H,9H2,(H2,16,19).
What are the key properties of 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide?
2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 353.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 50890619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).