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

C15H17NO3S — CID 668951

IUPACN-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H17NO3S/c17-12-11-16(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10,17H,11-13H2
InChIKeyOBGQICKJVVDHSC-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.87
Rot. Bonds6

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

N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 668951) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID668951
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H17NO3S/c17-12-11-16(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10,17H,11-13H2
InChIKeyOBGQICKJVVDHSC-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-benzyl-N-[3-[2-(benzylamino)ethylamino]propyl]benzenesulfonamide
CID 167012905
N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 113228610
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid
CID 82326480
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
2-[2-[benzenesulfonyl(benzyl)amino]ethoxy]acetic acid
CID 154080670

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 668951) is N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is OBGQICKJVVDHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-12-11-16(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10,17H,11-13H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide?
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 668951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).