N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C14H15FN2O3S — CID 43550537

IUPACN-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O3S/c15-11-5-7-12(8-6-11)21(19,20)17(9-10-18)14-4-2-1-3-13(14)16/h1-8,18H,9-10,16H2
InChIKeyWEHNUIWWNZPSLZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.60
Rot. Bonds5

About N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43550537) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43550537
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC NameN-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O3S/c15-11-5-7-12(8-6-11)21(19,20)17(9-10-18)14-4-2-1-3-13(14)16/h1-8,18H,9-10,16H2
InChIKeyWEHNUIWWNZPSLZ-UHFFFAOYSA-N
XLogP1.60
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.60
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)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 43550546
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide
CID 102690536
N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 43550524
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550531
3-[2-amino-N-(1H-pyrazol-4-ylsulfonyl)anilino]propanoic acid
CID 63118504
1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
CID 114804521
methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
CID 114461612
4-fluoro-N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50890637
N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide
CID 62101650
N-(2-aminophenyl)-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298336
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246467

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 43550537) is N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is Nc1ccccc1N(CCO)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is WEHNUIWWNZPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c15-11-5-7-12(8-6-11)21(19,20)17(9-10-18)14-4-2-1-3-13(14)16/h1-8,18H,9-10,16H2.
What are the key properties of N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43550537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).