N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide

C16H17FN2O3S — CID 113093007

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H17FN2O3S/c1-10-4-5-11(2)16(8-10)23(21,22)19-15-9-13(17)6-7-14(15)18-12(3)20/h4-9,19H,1-3H3,(H,18,20)
InChIKeyLMYKYGRDIZNACX-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.20
Rot. Bonds4

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide (PubChem CID 113093007) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
PubChem CID113093007
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H17FN2O3S/c1-10-4-5-11(2)16(8-10)23(21,22)19-15-9-13(17)6-7-14(15)18-12(3)20/h4-9,19H,1-3H3,(H,18,20)
InChIKeyLMYKYGRDIZNACX-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-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093031
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
N-[2-[(2,4-dimethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 60579365
N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 5184289
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)-4-methylbenzamide
CID 126412201
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6083457

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide (CID 113093007) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)cc1NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide?
The InChIKey is LMYKYGRDIZNACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-10-4-5-11(2)16(8-10)23(21,22)19-15-9-13(17)6-7-14(15)18-12(3)20/h4-9,19H,1-3H3,(H,18,20).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-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-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 113093007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).