N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide

C15H17NO4S — CID 81233797

IUPACN-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H17NO4S/c17-11-10-16(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)18/h1-9,17-18H,10-12H2
InChIKeyXSGAVTHIEYLZNJ-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.58
Rot. Bonds6

About N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide

N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 81233797) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID81233797
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H17NO4S/c17-11-10-16(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)18/h1-9,17-18H,10-12H2
InChIKeyXSGAVTHIEYLZNJ-UHFFFAOYSA-N
XLogP1.58
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 62114424
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 113265345
N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 23855426
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
CID 113317123
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
CID 80676433
N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide (CID 81233797) is N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccccc1O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is XSGAVTHIEYLZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c17-11-10-16(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)18/h1-9,17-18H,10-12H2.
What are the key properties of N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 81233797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).