2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C12H15N3O3S — CID 81169956

IUPAC2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCc2ccon2)cc1C
InChIInChI=1S/C12H15N3O3S/c1-8-5-11(13)12(6-9(8)2)19(16,17)14-7-10-3-4-18-15-10/h3-6,14H,7,13H2,1-2H3
InChIKeyOESPRVNLUSXMNR-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 81169956) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID81169956
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCc2ccon2)cc1C
InChIInChI=1S/C12H15N3O3S/c1-8-5-11(13)12(6-9(8)2)19(16,17)14-7-10-3-4-18-15-10/h3-6,14H,7,13H2,1-2H3
InChIKeyOESPRVNLUSXMNR-UHFFFAOYSA-N
XLogP1.35
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 81169956) is 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is Cc1cc(N)c(S(=O)(=O)NCc2ccon2)cc1C.
What is the InChIKey of 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is OESPRVNLUSXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-5-11(13)12(6-9(8)2)19(16,17)14-7-10-3-4-18-15-10/h3-6,14H,7,13H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81169956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).