3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide

C21H20N2O4S — CID 9300349

IUPAC3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CO)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H20N2O4S/c24-15-17-8-4-10-19(12-17)23-21(25)18-9-5-11-20(13-18)28(26,27)22-14-16-6-2-1-3-7-16/h1-13,22,24H,14-15H2,(H,23,25)
InChIKeyJYNBHPFTFOLNBU-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.91
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide

3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide (PubChem CID 9300349) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
PubChem CID9300349
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CO)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H20N2O4S/c24-15-17-8-4-10-19(12-17)23-21(25)18-9-5-11-20(13-18)28(26,27)22-14-16-6-2-1-3-7-16/h1-13,22,24H,14-15H2,(H,23,25)
InChIKeyJYNBHPFTFOLNBU-UHFFFAOYSA-N
XLogP2.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300326
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948834
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide (CID 9300349) is 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide is O=C(Nc1cccc(CO)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is JYNBHPFTFOLNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-15-17-8-4-10-19(12-17)23-21(25)18-9-5-11-20(13-18)28(26,27)22-14-16-6-2-1-3-7-16/h1-13,22,24H,14-15H2,(H,23,25).
What are the key properties of 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide?
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 9300349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).