4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol

C15H24N4O5S — CID 20287

IUPAC4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol
SMILESCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO
InChIInChI=1S/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2
InChIKeyFEPTXVIRMZIGFY-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.24
Rot. Bonds7

About 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol (PubChem CID 20287) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol
PubChem CID20287
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol
SMILESCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO
InChIInChI=1S/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2
InChIKeyFEPTXVIRMZIGFY-UHFFFAOYSA-N
XLogP0.24
TPSA150.71 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Sulfisoxazole
CID 5344
Sulfisoxazole Acetyl
CID 6662
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-isobutyramide
CID 678193
2''-(2-Hydroxy-ethylamino)-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10503421
Ethyl 4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenylcarbamate
CID 841728
(2E)-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-phenylprop-2-e namide
CID 2319873
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2,2,2-trifluoro-acetamide
CID 1107616
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2-methoxy-acetamide
CID 733308
Butyl 4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenylcarbamate
CID 2238872
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4177105
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-3-methyl-2-butenamide
CID 731844
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide
CID 2395547

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol (CID 20287) is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol is Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO.
What is the InChIKey of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol?
The InChIKey is FEPTXVIRMZIGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2.
What are the key properties of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol?
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol has a molecular weight of 372.45 g/mol, XLogP of 0.24, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 20287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).