3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide

C16H15Cl2NO5S — CID 35978682

IUPAC3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO5S/c1-3-25(22,23)10-4-5-14(20)13(8-10)19-16(21)9-6-11(17)15(24-2)12(18)7-9/h4-8,20H,3H2,1-2H3,(H,19,21)
InChIKeyIUMOKGOAPYOPNC-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.75
Rot. Bonds5

About 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide

3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide (PubChem CID 35978682) has the molecular formula C16H15Cl2NO5S and a molecular weight of 404.27 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
PubChem CID35978682
Molecular FormulaC16H15Cl2NO5S
Molecular Weight404.27 g/mol
Exact Mass403.00
IUPAC Name3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO5S/c1-3-25(22,23)10-4-5-14(20)13(8-10)19-16(21)9-6-11(17)15(24-2)12(18)7-9/h4-8,20H,3H2,1-2H3,(H,19,21)
InChIKeyIUMOKGOAPYOPNC-UHFFFAOYSA-N
XLogP3.75
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide
CID 31618597
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
CID 51206951
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618429
N-[2-chloro-5-[(5-ethylsulfonyl-2-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46665119
N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide
CID 11750845
5-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31618564
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 21184626
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 35978496

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide (CID 35978682) is 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1.
What is the InChIKey of 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide?
The InChIKey is IUMOKGOAPYOPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5S/c1-3-25(22,23)10-4-5-14(20)13(8-10)19-16(21)9-6-11(17)15(24-2)12(18)7-9/h4-8,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide?
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide has a molecular weight of 404.27 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide is sourced from PubChem (CID 35978682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).