1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene

C17H22N2O3S — CID 56892573

IUPAC1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene
SMILESCc1ccccc1CN(CCO)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-15-7-5-6-10-17(15)14-19(11-12-20)23(21,22)18-13-16-8-3-2-4-9-16/h2-10,18,20H,11-14H2,1H3
InChIKeyHTULSXOOHVJFIV-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.82
Rot. Bonds8

About 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene

1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene (PubChem CID 56892573) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene
PubChem CID56892573
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene
SMILESCc1ccccc1CN(CCO)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-15-7-5-6-10-17(15)14-19(11-12-20)23(21,22)18-13-16-8-3-2-4-9-16/h2-10,18,20H,11-14H2,1H3
InChIKeyHTULSXOOHVJFIV-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
benzylsulfamic acid;ethane
CID 154691965
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine
CID 131923456
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
3-[3-hydroxypropyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 82327795

Frequently Asked Questions

What is the IUPAC name of 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene?
The IUPAC name of 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene (CID 56892573) is 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene.
What is the SMILES notation for 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene?
The canonical SMILES for 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene is Cc1ccccc1CN(CCO)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene?
The InChIKey is HTULSXOOHVJFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-15-7-5-6-10-17(15)14-19(11-12-20)23(21,22)18-13-16-8-3-2-4-9-16/h2-10,18,20H,11-14H2,1H3.
What are the key properties of 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene?
1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene has a molecular weight of 334.44 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene is sourced from PubChem (CID 56892573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).