N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C21H20N2O4S — CID 9164338

IUPACN-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(CO)c3)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-8-10-18(11-9-15)23-28(26,27)20-7-3-5-17(13-20)21(25)22-19-6-2-4-16(12-19)14-24/h2-13,23-24H,14H2,1H3,(H,22,25)
InChIKeyUXESRHAAEBDELR-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.54
Rot. Bonds6

About N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 9164338) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID9164338
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(CO)c3)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-8-10-18(11-9-15)23-28(26,27)20-7-3-5-17(13-20)21(25)22-19-6-2-4-16(12-19)14-24/h2-13,23-24H,14H2,1H3,(H,22,25)
InChIKeyUXESRHAAEBDELR-UHFFFAOYSA-N
XLogP3.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300326
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 33231642

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 9164338) is N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(CO)c3)c2)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is UXESRHAAEBDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-15-8-10-18(11-9-15)23-28(26,27)20-7-3-5-17(13-20)21(25)22-19-6-2-4-16(12-19)14-24/h2-13,23-24H,14H2,1H3,(H,22,25).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).