N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide

C16H17FN2O3S — CID 894117

IUPACN-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
SMILESCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H17FN2O3S/c1-11-3-6-14(9-12(11)2)19-16(20)10-18-23(21,22)15-7-4-13(17)5-8-15/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyHEKARDFGUYQQBP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.36
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide

N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 894117) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID894117
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
SMILESCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H17FN2O3S/c1-11-3-6-14(9-12(11)2)19-16(20)10-18-23(21,22)15-7-4-13(17)5-8-15/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyHEKARDFGUYQQBP-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide (CID 894117) is N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide is Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is HEKARDFGUYQQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-3-6-14(9-12(11)2)19-16(20)10-18-23(21,22)15-7-4-13(17)5-8-15/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide?
N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 894117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).