2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide

C21H18F2N2O3S — CID 1320131

IUPAC2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18F2N2O3S/c1-15-5-11-20(12-6-15)29(27,28)25(19-9-7-16(22)8-10-19)14-21(26)24-18-4-2-3-17(23)13-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeySFUMJCJCXBQXNS-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.11
Rot. Bonds6

About 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 1320131) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
PubChem CID1320131
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18F2N2O3S/c1-15-5-11-20(12-6-15)29(27,28)25(19-9-7-16(22)8-10-19)14-21(26)24-18-4-2-3-17(23)13-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeySFUMJCJCXBQXNS-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.11
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
N-(3,4-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 53279104
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 3563496
N-(3-fluorophenyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126032178
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266187
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029
N-(3-bromophenyl)-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30171190
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide (CID 1320131) is 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is SFUMJCJCXBQXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-15-5-11-20(12-6-15)29(27,28)25(19-9-7-16(22)8-10-19)14-21(26)24-18-4-2-3-17(23)13-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide?
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 416.45 g/mol, XLogP of 4.11, 6 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 1320131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).