N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide

C15H14FN3O5S — CID 55560089

IUPACN-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C15H14FN3O5S/c1-9-3-5-12(19(21)22)8-15(9)25(23,24)18-14-7-11(17-10(2)20)4-6-13(14)16/h3-8,18H,1-2H3,(H,17,20)
InChIKeyJVRGUALGSJILSN-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.80
Rot. Bonds5

About N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide

N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55560089) has the molecular formula C15H14FN3O5S and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide
PubChem CID55560089
Molecular FormulaC15H14FN3O5S
Molecular Weight367.36 g/mol
Exact Mass367.06
IUPAC NameN-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C15H14FN3O5S/c1-9-3-5-12(19(21)22)8-15(9)25(23,24)18-14-7-11(17-10(2)20)4-6-13(14)16/h3-8,18H,1-2H3,(H,17,20)
InChIKeyJVRGUALGSJILSN-UHFFFAOYSA-N
XLogP2.80
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.80
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-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22774503
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
1,1-dimethyl-3-[2-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]urea
CID 55811259
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide (CID 55560089) is N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1.
What is the InChIKey of N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is JVRGUALGSJILSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5S/c1-9-3-5-12(19(21)22)8-15(9)25(23,24)18-14-7-11(17-10(2)20)4-6-13(14)16/h3-8,18H,1-2H3,(H,17,20).
What are the key properties of N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide?
N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 367.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55560089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).