N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide

C19H14Cl2N2O6S — CID 45268473

IUPACN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C19H14Cl2N2O6S/c20-14-6-3-12(9-15(14)21)23-30(28,29)13-4-1-11(2-5-13)22-19(27)10-7-16(24)18(26)17(25)8-10/h1-9,23-26H,(H,22,27)
InChIKeyBMTZVESLRWPUAI-UHFFFAOYSA-N
MW469.30 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide

N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide (PubChem CID 45268473) has the molecular formula C19H14Cl2N2O6S and a molecular weight of 469.30 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide
PubChem CID45268473
Molecular FormulaC19H14Cl2N2O6S
Molecular Weight469.30 g/mol
Exact Mass467.99
IUPAC NameN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C19H14Cl2N2O6S/c20-14-6-3-12(9-15(14)21)23-30(28,29)13-4-1-11(2-5-13)22-19(27)10-7-16(24)18(26)17(25)8-10/h1-9,23-26H,(H,22,27)
InChIKeyBMTZVESLRWPUAI-UHFFFAOYSA-N
XLogP4.16
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.30
LogP ≤ 54.16
H-Bond Donors ≤ 55
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

1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058531
3,4,5-trihydroxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 90479890
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide?
The IUPAC name of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide (CID 45268473) is N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide.
What is the SMILES notation for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide?
The canonical SMILES for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1cc(O)c(O)c(O)c1.
What is the InChIKey of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide?
The InChIKey is BMTZVESLRWPUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O6S/c20-14-6-3-12(9-15(14)21)23-30(28,29)13-4-1-11(2-5-13)22-19(27)10-7-16(24)18(26)17(25)8-10/h1-9,23-26H,(H,22,27).
What are the key properties of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide?
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide has a molecular weight of 469.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide is sourced from PubChem (CID 45268473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).