2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C13H17N3O3S — CID 107329060

IUPAC2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)NCc2ccon2)c(C)c1
InChIInChI=1S/C13H17N3O3S/c1-9-6-12(14-3)7-10(2)13(9)20(17,18)15-8-11-4-5-19-16-11/h4-7,14-15H,8H2,1-3H3
InChIKeyUJGYAPBTAGELAI-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.81
Rot. Bonds5

About 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 107329060) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID107329060
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)NCc2ccon2)c(C)c1
InChIInChI=1S/C13H17N3O3S/c1-9-6-12(14-3)7-10(2)13(9)20(17,18)15-8-11-4-5-19-16-11/h4-7,14-15H,8H2,1-3H3
InChIKeyUJGYAPBTAGELAI-UHFFFAOYSA-N
XLogP1.81
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)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

2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477683
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102754459
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 107329045
2-hydroxy-4-methyl-5-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176901
2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 107328854
2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 107328926
2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 81170323

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 107329060) is 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is CNc1cc(C)c(S(=O)(=O)NCc2ccon2)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is UJGYAPBTAGELAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-6-12(14-3)7-10(2)13(9)20(17,18)15-8-11-4-5-19-16-11/h4-7,14-15H,8H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107329060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).