4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

C11H11Cl2N3O3S — CID 65488136

IUPAC4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)c1C
InChIInChI=1S/C11H11Cl2N3O3S/c1-5-6(2)15-19-11(5)16-20(17,18)10-8(12)3-7(14)4-9(10)13/h3-4,16H,14H2,1-2H3
InChIKeyRTSUCQFNPQFHKJ-UHFFFAOYSA-N
MW336.20 g/mol
LogP2.98
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 65488136) has the molecular formula C11H11Cl2N3O3S and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID65488136
Molecular FormulaC11H11Cl2N3O3S
Molecular Weight336.20 g/mol
Exact Mass334.99
IUPAC Name4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)c1C
InChIInChI=1S/C11H11Cl2N3O3S/c1-5-6(2)15-19-11(5)16-20(17,18)10-8(12)3-7(14)4-9(10)13/h3-4,16H,14H2,1-2H3
InChIKeyRTSUCQFNPQFHKJ-UHFFFAOYSA-N
XLogP2.98
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 52.98
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

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide
CID 65485842
5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 65486622
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide
CID 65486818
3-chloro-4-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 115698046
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluorobenzenesulfonamide
CID 82844498
4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 43257455
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19683718
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3765964
bis(4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide);2-(2-hydroxyethylamino)ethanol
CID 66830855
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 44610693

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 65488136) is 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)c1C.
What is the InChIKey of 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is RTSUCQFNPQFHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3S/c1-5-6(2)15-19-11(5)16-20(17,18)10-8(12)3-7(14)4-9(10)13/h3-4,16H,14H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 336.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 65488136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).