2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide

C17H17Cl2FN2O3S — CID 43915518

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C17H17Cl2FN2O3S/c1-11(12-3-6-14(20)7-4-12)21-17(23)10-22(26(2,24)25)16-9-13(18)5-8-15(16)19/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyMFTCTUCRNIAMFX-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.78
Rot. Bonds6

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43915518) has the molecular formula C17H17Cl2FN2O3S and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID43915518
Molecular FormulaC17H17Cl2FN2O3S
Molecular Weight419.31 g/mol
Exact Mass418.03
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C17H17Cl2FN2O3S/c1-11(12-3-6-14(20)7-4-12)21-17(23)10-22(26(2,24)25)16-9-13(18)5-8-15(16)19/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyMFTCTUCRNIAMFX-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43910263
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100540514
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43905455
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28633450
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166334
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 1326607
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30246628
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915286
N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43904526

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 43915518) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MFTCTUCRNIAMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O3S/c1-11(12-3-6-14(20)7-4-12)21-17(23)10-22(26(2,24)25)16-9-13(18)5-8-15(16)19/h3-9,11H,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 419.31 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43915518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).