2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C22H19Cl2FN2O3S — CID 92677059

IUPAC2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19Cl2FN2O3S/c1-15(16-7-9-19(25)10-8-16)26-22(28)14-27(20-12-17(23)11-18(24)13-20)31(29,30)21-5-3-2-4-6-21/h2-13,15H,14H2,1H3,(H,26,28)/t15-/m1/s1
InChIKeyFRVZAMZCOPAEQZ-OAHLLOKOSA-N
MW481.38 g/mol
LogP5.21
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 92677059) has the molecular formula C22H19Cl2FN2O3S and a molecular weight of 481.38 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID92677059
Molecular FormulaC22H19Cl2FN2O3S
Molecular Weight481.38 g/mol
Exact Mass480.05
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19Cl2FN2O3S/c1-15(16-7-9-19(25)10-8-16)26-22(28)14-27(20-12-17(23)11-18(24)13-20)31(29,30)21-5-3-2-4-6-21/h2-13,15H,14H2,1H3,(H,26,28)/t15-/m1/s1
InChIKeyFRVZAMZCOPAEQZ-OAHLLOKOSA-N
XLogP5.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902194
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 124662515
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30306959
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902134
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191964
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304561
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 92681700
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43902042
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902097

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 92677059) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is FRVZAMZCOPAEQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O3S/c1-15(16-7-9-19(25)10-8-16)26-22(28)14-27(20-12-17(23)11-18(24)13-20)31(29,30)21-5-3-2-4-6-21/h2-13,15H,14H2,1H3,(H,26,28)/t15-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 481.38 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 92677059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).