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

C11H13N3O3S — CID 12894

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IUPAC4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C
InChIInChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyCYFLXLSBHQBMFT-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.67
Rot. Bonds3

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

4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 12894) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID12894
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C
InChIInChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyCYFLXLSBHQBMFT-UHFFFAOYSA-N
XLogP1.67
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.67
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

Sulfaguanole
CID 9571041
1-(1-Adamantyl)-3-[4-[(4,5-dimethyloxazol-2-yl)sulfamoyl]phenyl]urea
CID 71602744
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
CID 648308
Enterocura; Sulfaguanol
CID 65756
N4-Acetyl-N1-(4,5-dimethyloxazol-2-yl)-sulfanilamide
CID 4575156
N-[4-(4,5-Dimethyl-oxazol-2-ylsulfamoyl)-phenyl]-N-methyl-acetamide
CID 44402662
2-Sulfanilamido-4,5-dimethyloxazol
CID 70551135
CID 5464101
CID 5464101
2-amino-4-methyl-N-phenyl-oxazole-5-carbothioamide
CID 13430328
4-Amino-N-(5-methyloxazol-2-yl)benzenesulfonamide
CID 13868803
N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide
CID 134990519
N-[4-({[2-(4,5-Dimethyl-1,3-oxazol-2-yl)hydrazin-1-yl]methylidene}sulfamoyl)phenyl]acetamide
CID 3015346

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide (CID 12894) is 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C.
What is the InChIKey of 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is CYFLXLSBHQBMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide?
4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 12894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).