3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide

C12H15N3O3S — CID 106504809

IUPAC3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccon2)c1C
InChIInChI=1S/C12H15N3O3S/c1-7-6-10(13)9(3)12(8(7)2)19(16,17)15-11-4-5-18-14-11/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyLCLPOWNKFNSIGZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.98
Rot. Bonds3

About 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide

3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 106504809) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID106504809
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccon2)c1C
InChIInChI=1S/C12H15N3O3S/c1-7-6-10(13)9(3)12(8(7)2)19(16,17)15-11-4-5-18-14-11/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyLCLPOWNKFNSIGZ-UHFFFAOYSA-N
XLogP1.98
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 107325808
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150
3-amino-2,5,6-trimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106505457
3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 106503931
3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503720
3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 113288340
3-amino-2,5,6-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391977
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106503730
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 106504809) is 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2ccon2)c1C.
What is the InChIKey of 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is LCLPOWNKFNSIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-7-6-10(13)9(3)12(8(7)2)19(16,17)15-11-4-5-18-14-11/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 106504809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).