2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide

C21H17ClF2N2O3S — CID 3284151

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClF2N2O3S/c1-14-4-2-5-16(12-14)26(30(28,29)17-10-8-15(22)9-11-17)13-20(27)25-21-18(23)6-3-7-19(21)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyUJMNJEIOBVILKV-UHFFFAOYSA-N
MW450.89 g/mol
LogP4.76
Rot. Bonds6

About 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide (PubChem CID 3284151) has the molecular formula C21H17ClF2N2O3S and a molecular weight of 450.89 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
PubChem CID3284151
Molecular FormulaC21H17ClF2N2O3S
Molecular Weight450.89 g/mol
Exact Mass450.06
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClF2N2O3S/c1-14-4-2-5-16(12-14)26(30(28,29)17-10-8-15(22)9-11-17)13-20(27)25-21-18(23)6-3-7-19(21)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyUJMNJEIOBVILKV-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.89
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126386851
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126148873
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2228425
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2238379
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126411792
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(3-nitrophenyl)acetamide
CID 1252853
N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 2206422
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 126415130
N-(2,6-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2223913
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30396613
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 5167915
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4268045

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide (CID 3284151) is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide is Cc1cccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is UJMNJEIOBVILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O3S/c1-14-4-2-5-16(12-14)26(30(28,29)17-10-8-15(22)9-11-17)13-20(27)25-21-18(23)6-3-7-19(21)24/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 450.89 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 3284151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).