4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide

C14H13N3O4S — CID 165355582

IUPAC4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide
SMILESCOc1ccc2nc(NS(=O)(=O)c3ccc(N)cc3)oc2c1
InChIInChI=1S/C14H13N3O4S/c1-20-10-4-7-12-13(8-10)21-14(16-12)17-22(18,19)11-5-2-9(15)3-6-11/h2-8H,15H2,1H3,(H,16,17)
InChIKeyDJKRTMNZECETRV-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.22
Rot. Bonds4

About 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide

4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide (PubChem CID 165355582) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide
PubChem CID165355582
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide
SMILESCOc1ccc2nc(NS(=O)(=O)c3ccc(N)cc3)oc2c1
InChIInChI=1S/C14H13N3O4S/c1-20-10-4-7-12-13(8-10)21-14(16-12)17-22(18,19)11-5-2-9(15)3-6-11/h2-8H,15H2,1H3,(H,16,17)
InChIKeyDJKRTMNZECETRV-UHFFFAOYSA-N
XLogP2.22
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide 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

4-amino-N-(5-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 121004629
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide
CID 89047387
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
CID 148691871
4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 102348080
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine
CID 69173935

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide (CID 165355582) is 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide is COc1ccc2nc(NS(=O)(=O)c3ccc(N)cc3)oc2c1.
What is the InChIKey of 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide?
The InChIKey is DJKRTMNZECETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-20-10-4-7-12-13(8-10)21-14(16-12)17-22(18,19)11-5-2-9(15)3-6-11/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide?
4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide has a molecular weight of 319.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 165355582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).