N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H17N3O4S — CID 43550531

IUPACN-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(18,19)16(7-8-17)12-6-4-3-5-11(12)14/h3-6,17H,7-8,14H2,1-2H3
InChIKeyKNYPJKUAXHBPAB-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.06
Rot. Bonds5

About N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 43550531) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID43550531
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(18,19)16(7-8-17)12-6-4-3-5-11(12)14/h3-6,17H,7-8,14H2,1-2H3
InChIKeyKNYPJKUAXHBPAB-UHFFFAOYSA-N
XLogP1.06
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39350742
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide
CID 102690536
N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide
CID 63233772
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetic acid
CID 3453928
1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
CID 114804521
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113317283
methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
CID 114461612
N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 43550524
N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62100660
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)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 43550531) is N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(CCO)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is KNYPJKUAXHBPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(18,19)16(7-8-17)12-6-4-3-5-11(12)14/h3-6,17H,7-8,14H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 43550531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).