N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide

C15H18N2O3S — CID 43550546

IUPACN-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCO)c2ccccc2N)c1
InChIInChI=1S/C15H18N2O3S/c1-12-5-4-6-13(11-12)21(19,20)17(9-10-18)15-8-3-2-7-14(15)16/h2-8,11,18H,9-10,16H2,1H3
InChIKeyBEUJVAOGSXTQMC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.76
Rot. Bonds5

About N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide

N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (PubChem CID 43550546) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
PubChem CID43550546
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCO)c2ccccc2N)c1
InChIInChI=1S/C15H18N2O3S/c1-12-5-4-6-13(11-12)21(19,20)17(9-10-18)15-8-3-2-7-14(15)16/h2-8,11,18H,9-10,16H2,1H3
InChIKeyBEUJVAOGSXTQMC-UHFFFAOYSA-N
XLogP1.76
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.76
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-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550537
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550531
N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
CID 62101486
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide
CID 102690536
1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
CID 114804521
methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
CID 114461612
N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 43550524
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 38868903
N-(2-bromoethyl)-N-ethyl-3-methylbenzenesulfonamide
CID 80676549
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (CID 43550546) is N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(CCO)c2ccccc2N)c1.
What is the InChIKey of N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is BEUJVAOGSXTQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-12-5-4-6-13(11-12)21(19,20)17(9-10-18)15-8-3-2-7-14(15)16/h2-8,11,18H,9-10,16H2,1H3.
What are the key properties of N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 43550546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).