N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide

C13H15ClN2O4S — CID 138014337

IUPACN-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2noc(C)c2Cl)c(C)c1
InChIInChI=1S/C13H15ClN2O4S/c1-4-19-10-5-6-11(8(2)7-10)21(17,18)16-13-12(14)9(3)20-15-13/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyKCDBOHQKWSIOLQ-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.14
Rot. Bonds5

About N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide

N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide (PubChem CID 138014337) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide
PubChem CID138014337
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC NameN-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2noc(C)c2Cl)c(C)c1
InChIInChI=1S/C13H15ClN2O4S/c1-4-19-10-5-6-11(8(2)7-10)21(17,18)16-13-12(14)9(3)20-15-13/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyKCDBOHQKWSIOLQ-UHFFFAOYSA-N
XLogP3.14
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide (CID 138014337) is N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2noc(C)c2Cl)c(C)c1.
What is the InChIKey of N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide?
The InChIKey is KCDBOHQKWSIOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-4-19-10-5-6-11(8(2)7-10)21(17,18)16-13-12(14)9(3)20-15-13/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide?
N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide has a molecular weight of 330.79 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 138014337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).