2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

C16H17FN2O3S — CID 30172029

IUPAC2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17FN2O3S/c1-12-3-9-15(10-4-12)23(21,22)19(11-16(20)18-2)14-7-5-13(17)6-8-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyVDQYXTXHGZYQGC-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.08
Rot. Bonds5

About 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 30172029) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID30172029
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17FN2O3S/c1-12-3-9-15(10-4-12)23(21,22)19(11-16(20)18-2)14-7-5-13(17)6-8-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyVDQYXTXHGZYQGC-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
N-(2,4-dimethylpentan-3-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 51344897
N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
CID 21372246
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
N-(3,4-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 53279104
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1339403
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30227660

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (CID 30172029) is 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is VDQYXTXHGZYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-12-3-9-15(10-4-12)23(21,22)19(11-16(20)18-2)14-7-5-13(17)6-8-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 336.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 30172029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).