N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate

C16H16N2O5S — CID 11198845

IUPACN-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
SMILESCc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NO)cc1.O
InChIInChI=1S/C16H14N2O4S.H2O/c1-11-15(16(17-22-11)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(20,21)18-19;/h2-10,18-19H,1H3;1H2
InChIKeyYHDSJYBBYJMCFY-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.16
Rot. Bonds4

About N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate

N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate (PubChem CID 11198845) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate.

Molecular Properties

Compound NameN-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
PubChem CID11198845
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
SMILESCc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NO)cc1.O
InChIInChI=1S/C16H14N2O4S.H2O/c1-11-15(16(17-22-11)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(20,21)18-19;/h2-10,18-19H,1H3;1H2
InChIKeyYHDSJYBBYJMCFY-UHFFFAOYSA-N
XLogP2.16
TPSA123.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Valdecoxib
CID 119607
Parecoxib Sodium
CID 15895902
Parecoxib
CID 119828
3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole
CID 10429020
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
3,5-Dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]-1,2-oxazole
CID 4460128
1-Hydroxyvaldecoxib
CID 9818888
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
N-Cyclopentyl-5-(3,5-Dimethylisoxazol-4-Yl)-2-Methylbenzenesulfonamide
CID 53054259
3-[2-(Tert-butylsulfonyl)phenyl]-5-phenyl-4-isoxazolecarboxamide
CID 1040629
N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
CID 53054289
4-methyl-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738171

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate?
The IUPAC name of N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate (CID 11198845) is N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate.
What is the SMILES notation for N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate?
The canonical SMILES for N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate is Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NO)cc1.O.
What is the InChIKey of N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate?
The InChIKey is YHDSJYBBYJMCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S.H2O/c1-11-15(16(17-22-11)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(20,21)18-19;/h2-10,18-19H,1H3;1H2.
What are the key properties of N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate?
N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate has a molecular weight of 348.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate is sourced from PubChem (CID 11198845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).