N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide

C16H14Cl2N2O6S — CID 11750845

IUPACN'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C16H14Cl2N2O6S/c1-2-27(25,26)9-3-4-13(21)11(7-9)19-15(23)16(24)20-12-6-8(17)5-10(18)14(12)22/h3-7,21-22H,2H2,1H3,(H,19,23)(H,20,24)
InChIKeyBTTSFFLCLGVKSR-UHFFFAOYSA-N
MW433.27 g/mol
LogP2.78
Rot. Bonds4

About N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide

N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide (PubChem CID 11750845) has the molecular formula C16H14Cl2N2O6S and a molecular weight of 433.27 g/mol. Its IUPAC name is N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide
PubChem CID11750845
Molecular FormulaC16H14Cl2N2O6S
Molecular Weight433.27 g/mol
Exact Mass431.99
IUPAC NameN'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C16H14Cl2N2O6S/c1-2-27(25,26)9-3-4-13(21)11(7-9)19-15(23)16(24)20-12-6-8(17)5-10(18)14(12)22/h3-7,21-22H,2H2,1H3,(H,19,23)(H,20,24)
InChIKeyBTTSFFLCLGVKSR-UHFFFAOYSA-N
XLogP2.78
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682
2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
CID 51206951
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 35978496
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
N-(3,5-dichloro-2-hydroxyphenyl)-N'-(2-hydroxy-6-methylphenyl)oxamide
CID 11416940
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 681601
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
CID 11293160
N'-(5-chloro-2-hydroxyphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508697
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide?
The IUPAC name of N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide (CID 11750845) is N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide.
What is the SMILES notation for N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide?
The canonical SMILES for N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide?
The InChIKey is BTTSFFLCLGVKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O6S/c1-2-27(25,26)9-3-4-13(21)11(7-9)19-15(23)16(24)20-12-6-8(17)5-10(18)14(12)22/h3-7,21-22H,2H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide?
N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide has a molecular weight of 433.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide is sourced from PubChem (CID 11750845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).