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

C15H18N2O3S — CID 61111629

IUPAC3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C15H18N2O3S/c16-14-7-4-8-15(11-14)21(19,20)17(9-10-18)12-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12,16H2
InChIKeyMPNPOTPVJIWELL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.45
Rot. Bonds6

About 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide

3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61111629) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61111629
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C15H18N2O3S/c16-14-7-4-8-15(11-14)21(19,20)17(9-10-18)12-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12,16H2
InChIKeyMPNPOTPVJIWELL-UHFFFAOYSA-N
XLogP1.45
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
3-amino-N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 61127015
N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 113228610
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 113265345
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 61111629) is 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1.
What is the InChIKey of 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is MPNPOTPVJIWELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-14-7-4-8-15(11-14)21(19,20)17(9-10-18)12-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12,16H2.
What are the key properties of 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide?
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61111629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).