4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide

C19H17ClN2O5S — CID 2099606

IUPAC4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c(O)c1
InChIInChI=1S/C19H17ClN2O5S/c1-12-4-7-16(17(23)9-12)22-19(24)13-5-6-15(20)18(10-13)28(25,26)21-11-14-3-2-8-27-14/h2-10,21,23H,11H2,1H3,(H,22,24)
InChIKeyMZNPVSOVXVERJD-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.68
Rot. Bonds6

About 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide

4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide (PubChem CID 2099606) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
PubChem CID2099606
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC Name4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c(O)c1
InChIInChI=1S/C19H17ClN2O5S/c1-12-4-7-16(17(23)9-12)22-19(24)13-5-6-15(20)18(10-13)28(25,26)21-11-14-3-2-8-27-14/h2-10,21,23H,11H2,1H3,(H,22,24)
InChIKeyMZNPVSOVXVERJD-UHFFFAOYSA-N
XLogP3.68
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide (CID 2099606) is 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c(O)c1.
What is the InChIKey of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The InChIKey is MZNPVSOVXVERJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c1-12-4-7-16(17(23)9-12)22-19(24)13-5-6-15(20)18(10-13)28(25,26)21-11-14-3-2-8-27-14/h2-10,21,23H,11H2,1H3,(H,22,24).
What are the key properties of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide?
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide has a molecular weight of 420.87 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 2099606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).