2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide

C22H18ClF3N2O4S — CID 28547418

IUPAC2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClF3N2O4S/c1-13-3-10-18(32-2)19(11-13)33(30,31)28(15-6-4-14(23)5-7-15)12-20(29)27-17-9-8-16(24)21(25)22(17)26/h3-11H,12H2,1-2H3,(H,27,29)
InChIKeyGFFPUHHYYHOWQS-UHFFFAOYSA-N
MW498.91 g/mol
LogP4.91
Rot. Bonds7

About 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28547418) has the molecular formula C22H18ClF3N2O4S and a molecular weight of 498.91 g/mol. Its IUPAC name is 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID28547418
Molecular FormulaC22H18ClF3N2O4S
Molecular Weight498.91 g/mol
Exact Mass498.06
IUPAC Name2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClF3N2O4S/c1-13-3-10-18(32-2)19(11-13)33(30,31)28(15-6-4-14(23)5-7-15)12-20(29)27-17-9-8-16(24)21(25)22(17)26/h3-11H,12H2,1-2H3,(H,27,29)
InChIKeyGFFPUHHYYHOWQS-UHFFFAOYSA-N
XLogP4.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28548144
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126395247
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
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-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
N-(2,3-dimethylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 5135255
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
N-(2,5-difluorophenyl)-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548146
N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394171

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 28547418) is 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is GFFPUHHYYHOWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O4S/c1-13-3-10-18(32-2)19(11-13)33(30,31)28(15-6-4-14(23)5-7-15)12-20(29)27-17-9-8-16(24)21(25)22(17)26/h3-11H,12H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 498.91 g/mol, XLogP of 4.91, 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-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28547418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).