2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide

C22H19ClF2N2O4S — CID 28547422

IUPAC2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClF2N2O4S/c1-14-3-10-20(31-2)21(11-14)32(29,30)27(17-7-4-15(23)5-8-17)13-22(28)26-19-12-16(24)6-9-18(19)25/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyHBOMMYHQNSCHER-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.77
Rot. Bonds7

About 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide

2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide (PubChem CID 28547422) has the molecular formula C22H19ClF2N2O4S and a molecular weight of 480.92 g/mol. Its IUPAC name is 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
PubChem CID28547422
Molecular FormulaC22H19ClF2N2O4S
Molecular Weight480.92 g/mol
Exact Mass480.07
IUPAC Name2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClF2N2O4S/c1-14-3-10-20(31-2)21(11-14)32(29,30)27(17-7-4-15(23)5-8-17)13-22(28)26-19-12-16(24)6-9-18(19)25/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyHBOMMYHQNSCHER-UHFFFAOYSA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28547418
N-(2,5-difluorophenyl)-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548146
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126395247
N-(2,3-dimethylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 5135255
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
4-[[2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301795
N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798781
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394171
N-(3-acetylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2238416

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide (CID 28547422) is 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide?
The InChIKey is HBOMMYHQNSCHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O4S/c1-14-3-10-20(31-2)21(11-14)32(29,30)27(17-7-4-15(23)5-8-17)13-22(28)26-19-12-16(24)6-9-18(19)25/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide?
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide has a molecular weight of 480.92 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 28547422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).