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

C11H13N3O3S — CID 62903477

IUPAC6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2cnoc2)c1C
InChIInChI=1S/C11H13N3O3S/c1-7-3-4-10(12)11(8(7)2)18(15,16)14-9-5-13-17-6-9/h3-6,14H,12H2,1-2H3
InChIKeyMKMGQHRZKHCTTE-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.67
Rot. Bonds3

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

6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 62903477) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID62903477
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2cnoc2)c1C
InChIInChI=1S/C11H13N3O3S/c1-7-3-4-10(12)11(8(7)2)18(15,16)14-9-5-13-17-6-9/h3-6,14H,12H2,1-2H3
InChIKeyMKMGQHRZKHCTTE-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

6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43258376
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
CID 104617205
6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 60785111
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid
CID 62904172

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 62903477) is 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)Nc2cnoc2)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is MKMGQHRZKHCTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-3-4-10(12)11(8(7)2)18(15,16)14-9-5-13-17-6-9/h3-6,14H,12H2,1-2H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(1,2-oxazol-4-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 6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62903477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).