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

C14H12FN3O5S — CID 100820756

IUPACN-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12FN3O5S/c1-9(19)16-10-2-4-11(5-3-10)17-24(22,23)12-6-7-13(15)14(8-12)18(20)21/h2-8,17H,1H3,(H,16,19)
InChIKeyRZUFRZRAUIAHFD-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.49
Rot. Bonds5

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

N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 100820756) has the molecular formula C14H12FN3O5S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
PubChem CID100820756
Molecular FormulaC14H12FN3O5S
Molecular Weight353.33 g/mol
Exact Mass353.05
IUPAC NameN-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12FN3O5S/c1-9(19)16-10-2-4-11(5-3-10)17-24(22,23)12-6-7-13(15)14(8-12)18(20)21/h2-8,17H,1H3,(H,16,19)
InChIKeyRZUFRZRAUIAHFD-UHFFFAOYSA-N
XLogP2.49
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.49
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-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
3-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzoic acid
CID 45407612
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-fluoro-4-methyl-5-nitrobenzamide
CID 55792329
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7728362
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 4793013
4-fluoro-N-(2-hydroxypropyl)-3-nitrobenzenesulfonamide
CID 43502399
N-(4-ethylsulfonylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 30180860
3,4-difluoro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465707

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide (CID 100820756) is N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is RZUFRZRAUIAHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O5S/c1-9(19)16-10-2-4-11(5-3-10)17-24(22,23)12-6-7-13(15)14(8-12)18(20)21/h2-8,17H,1H3,(H,16,19).
What are the key properties of N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide?
N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 353.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 100820756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).