4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C11H13N3O4S — CID 43257220

IUPAC4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cc(C)on1
InChIInChI=1S/C11H13N3O4S/c1-7-5-11(13-18-7)14-19(15,16)10-4-3-8(12)6-9(10)17-2/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyMDAWSHZTIHNLQT-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 43257220) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID43257220
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cc(C)on1
InChIInChI=1S/C11H13N3O4S/c1-7-5-11(13-18-7)14-19(15,16)10-4-3-8(12)6-9(10)17-2/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyMDAWSHZTIHNLQT-UHFFFAOYSA-N
XLogP1.37
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.37
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

4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
CID 57350054
CID 57350054
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104616810
3-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 14150694
4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413600
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
2-amino-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 62149534
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 81471487
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 43257220) is 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)Nc1cc(C)on1.
What is the InChIKey of 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is MDAWSHZTIHNLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-7-5-11(13-18-7)14-19(15,16)10-4-3-8(12)6-9(10)17-2/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 283.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 43257220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).