5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide

C20H15Cl3N2O5S — CID 130311644

IUPAC5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(Oc2cccc(O)c2)cc1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl3N2O5S/c1-31(28,29)25-18-6-5-14(30-13-4-2-3-12(26)9-13)10-15(18)20(27)24-11-7-16(21)19(23)17(22)8-11/h2-10,25-26H,1H3,(H,24,27)
InChIKeyHDJSJFQLQNUOFX-UHFFFAOYSA-N
MW501.78 g/mol
LogP5.77
Rot. Bonds6

About 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide

5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide (PubChem CID 130311644) has the molecular formula C20H15Cl3N2O5S and a molecular weight of 501.78 g/mol. Its IUPAC name is 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide
PubChem CID130311644
Molecular FormulaC20H15Cl3N2O5S
Molecular Weight501.78 g/mol
Exact Mass499.98
IUPAC Name5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(Oc2cccc(O)c2)cc1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl3N2O5S/c1-31(28,29)25-18-6-5-14(30-13-4-2-3-12(26)9-13)10-15(18)20(27)24-11-7-16(21)19(23)17(22)8-11/h2-10,25-26H,1H3,(H,24,27)
InChIKeyHDJSJFQLQNUOFX-UHFFFAOYSA-N
XLogP5.77
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.78
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide
CID 125464743
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
N-(4-chlorophenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]-5-phenoxybenzamide
CID 11519607
5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
5-chloro-N-(3-cyclopentyloxyphenyl)-2-(methanesulfonamido)benzamide
CID 47087643
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide
CID 69255811
5-hydroxy-2-(methanesulfonamido)benzoic acid
CID 61406346
5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide
CID 118588339
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
CID 106853250
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide?
The IUPAC name of 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide (CID 130311644) is 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide is CS(=O)(=O)Nc1ccc(Oc2cccc(O)c2)cc1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide?
The InChIKey is HDJSJFQLQNUOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O5S/c1-31(28,29)25-18-6-5-14(30-13-4-2-3-12(26)9-13)10-15(18)20(27)24-11-7-16(21)19(23)17(22)8-11/h2-10,25-26H,1H3,(H,24,27).
What are the key properties of 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide?
5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide has a molecular weight of 501.78 g/mol, XLogP of 5.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 130311644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).