2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide

C16H17FN2O3S — CID 50891717

IUPAC2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide
SMILESCc1ccc(C)c(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-3-4-12(2)15(9-11)19(10-16(18)20)23(21,22)14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeySFUZSFSZTGCKOG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.12
Rot. Bonds5

About 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide

2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide (PubChem CID 50891717) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide
PubChem CID50891717
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide
SMILESCc1ccc(C)c(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-3-4-12(2)15(9-11)19(10-16(18)20)23(21,22)14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeySFUZSFSZTGCKOG-UHFFFAOYSA-N
XLogP2.12
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride
CID 50891718
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 846688
2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891881
(2S)-2-[[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100685393
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl chloride
CID 50891647
2-[[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
CID 132688551
2-[[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132686152
N-[(2S)-butan-2-yl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2272420
N-cyclopropyl-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24776179
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30305984

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide (CID 50891717) is 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide is Cc1ccc(C)c(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide?
The InChIKey is SFUZSFSZTGCKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-3-4-12(2)15(9-11)19(10-16(18)20)23(21,22)14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3,(H2,18,20).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide?
2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide is sourced from PubChem (CID 50891717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).