2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide

C15H12Cl2FNO4S — CID 51206951

IUPAC2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl2FNO4S/c1-2-24(22,23)8-3-4-14(20)13(5-8)19-15(21)9-6-12(18)11(17)7-10(9)16/h3-7,20H,2H2,1H3,(H,19,21)
InChIKeyLMDPOOSGEUFWIC-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.88
Rot. Bonds4

About 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide

2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide (PubChem CID 51206951) has the molecular formula C15H12Cl2FNO4S and a molecular weight of 392.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
PubChem CID51206951
Molecular FormulaC15H12Cl2FNO4S
Molecular Weight392.24 g/mol
Exact Mass390.98
IUPAC Name2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl2FNO4S/c1-2-24(22,23)8-3-4-14(20)13(5-8)19-15(21)9-6-12(18)11(17)7-10(9)16/h3-7,20H,2H2,1H3,(H,19,21)
InChIKeyLMDPOOSGEUFWIC-UHFFFAOYSA-N
XLogP3.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682
N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide
CID 11750845
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 35978496
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 46650848
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46523475
5-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31618564

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide (CID 51206951) is 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide?
The InChIKey is LMDPOOSGEUFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO4S/c1-2-24(22,23)8-3-4-14(20)13(5-8)19-15(21)9-6-12(18)11(17)7-10(9)16/h3-7,20H,2H2,1H3,(H,19,21).
What are the key properties of 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide?
2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide has a molecular weight of 392.24 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide is sourced from PubChem (CID 51206951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).