N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide

C19H13Cl2NO6S — CID 58626244

IUPACN-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide
SMILESO=C(Nc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccc(O)c(O)c1O
InChIInChI=1S/C19H13Cl2NO6S/c20-10-1-3-11(4-2-10)29(27,28)12-5-7-14(21)15(9-12)22-19(26)13-6-8-16(23)18(25)17(13)24/h1-9,23-25H,(H,22,26)
InChIKeySPQPKBBEGOFRJG-UHFFFAOYSA-N
MW454.29 g/mol
LogP4.20
Rot. Bonds4

About N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide

N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide (PubChem CID 58626244) has the molecular formula C19H13Cl2NO6S and a molecular weight of 454.29 g/mol. Its IUPAC name is N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide
PubChem CID58626244
Molecular FormulaC19H13Cl2NO6S
Molecular Weight454.29 g/mol
Exact Mass452.98
IUPAC NameN-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide
SMILESO=C(Nc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccc(O)c(O)c1O
InChIInChI=1S/C19H13Cl2NO6S/c20-10-1-3-11(4-2-10)29(27,28)12-5-7-14(21)15(9-12)22-19(26)13-6-8-16(23)18(25)17(13)24/h1-9,23-25H,(H,22,26)
InChIKeySPQPKBBEGOFRJG-UHFFFAOYSA-N
XLogP4.20
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.29
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide
CID 58626381
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
CID 51206951
N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199169
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
2-[[4-(4-chlorophenyl)sulfonylbenzoyl]amino]benzoate
CID 2252777
5-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
CID 106685589
5-[2-(4-tert-butylphenyl)ethyl]-N-[2-chloro-3-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide
CID 140502586

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide?
The IUPAC name of N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide (CID 58626244) is N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide?
The canonical SMILES for N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide is O=C(Nc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccc(O)c(O)c1O.
What is the InChIKey of N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide?
The InChIKey is SPQPKBBEGOFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO6S/c20-10-1-3-11(4-2-10)29(27,28)12-5-7-14(21)15(9-12)22-19(26)13-6-8-16(23)18(25)17(13)24/h1-9,23-25H,(H,22,26).
What are the key properties of N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide?
N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide has a molecular weight of 454.29 g/mol, XLogP of 4.20, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide is sourced from PubChem (CID 58626244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).