4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide

C16H18N2O5S — CID 167811468

IUPAC4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)NCc2ccc(O)cc2O)cc1
InChIInChI=1S/C16H18N2O5S/c1-17-16(21)12-4-2-11(3-5-12)10-24(22,23)18-9-13-6-7-14(19)8-15(13)20/h2-8,18-20H,9-10H2,1H3,(H,17,21)
InChIKeyWVBVSSYPEPPNDD-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.08
Rot. Bonds6

About 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide

4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide (PubChem CID 167811468) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide
PubChem CID167811468
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)NCc2ccc(O)cc2O)cc1
InChIInChI=1S/C16H18N2O5S/c1-17-16(21)12-4-2-11(3-5-12)10-24(22,23)18-9-13-6-7-14(19)8-15(13)20/h2-8,18-20H,9-10H2,1H3,(H,17,21)
InChIKeyWVBVSSYPEPPNDD-UHFFFAOYSA-N
XLogP1.08
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
CID 43720990
sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234
4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide
CID 154705116
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
methyl 4-(naphthalen-1-ylmethylsulfamoylmethyl)benzoate
CID 95045239
4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
CID 28620047
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide?
The IUPAC name of 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide (CID 167811468) is 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide?
The canonical SMILES for 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide is CNC(=O)c1ccc(CS(=O)(=O)NCc2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide?
The InChIKey is WVBVSSYPEPPNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-17-16(21)12-4-2-11(3-5-12)10-24(22,23)18-9-13-6-7-14(19)8-15(13)20/h2-8,18-20H,9-10H2,1H3,(H,17,21).
What are the key properties of 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide?
4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide has a molecular weight of 350.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide is sourced from PubChem (CID 167811468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).