2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide

C17H19FN2O3S — CID 51345438

IUPAC2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-13-8-10-14(11-9-13)24(22,23)20(12-17(21)19(2)3)16-7-5-4-6-15(16)18/h4-11H,12H2,1-3H3
InChIKeyZSYCPUFZUJALPQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide

2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide (PubChem CID 51345438) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
PubChem CID51345438
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-13-8-10-14(11-9-13)24(22,23)20(12-17(21)19(2)3)16-7-5-4-6-15(16)18/h4-11H,12H2,1-3H3
InChIKeyZSYCPUFZUJALPQ-UHFFFAOYSA-N
XLogP2.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 126031297
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902503
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307001
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
CID 50889178
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30215942
(2S)-2-[benzyl-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 125100491
2-[benzyl-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132735964
2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132742694
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30304751
2-[benzyl-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-butylbutanamide
CID 132739346

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide (CID 51345438) is 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide?
The InChIKey is ZSYCPUFZUJALPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-13-8-10-14(11-9-13)24(22,23)20(12-17(21)19(2)3)16-7-5-4-6-15(16)18/h4-11H,12H2,1-3H3.
What are the key properties of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide?
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 51345438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).