N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide

C16H17FN2O3S — CID 24656726

IUPACN-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1F
InChIInChI=1S/C16H17FN2O3S/c1-10-4-5-11(2)16(8-10)23(21,22)19-13-6-7-14(17)15(9-13)18-12(3)20/h4-9,19H,1-3H3,(H,18,20)
InChIKeyIWBJFWYODKGVSX-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.20
Rot. Bonds4

About N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide

N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide (PubChem CID 24656726) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
PubChem CID24656726
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1F
InChIInChI=1S/C16H17FN2O3S/c1-10-4-5-11(2)16(8-10)23(21,22)19-13-6-7-14(17)15(9-13)18-12(3)20/h4-9,19H,1-3H3,(H,18,20)
InChIKeyIWBJFWYODKGVSX-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide
CID 38892389
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 55560089
N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 30668145
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
CID 26684839
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide (CID 24656726) is N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1F.
What is the InChIKey of N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The InChIKey is IWBJFWYODKGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-10-4-5-11(2)16(8-10)23(21,22)19-13-6-7-14(17)15(9-13)18-12(3)20/h4-9,19H,1-3H3,(H,18,20).
What are the key properties of N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 24656726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).