N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide

C12H14N2O3S2 — CID 56764848

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide
SMILESCc1csc(NS(=O)(=O)CCOc2ccccc2)n1
InChIInChI=1S/C12H14N2O3S2/c1-10-9-18-12(13-10)14-19(15,16)8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKeyVGMGWVMYMQQKBN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide

N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide (PubChem CID 56764848) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide
PubChem CID56764848
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide
SMILESCc1csc(NS(=O)(=O)CCOc2ccccc2)n1
InChIInChI=1S/C12H14N2O3S2/c1-10-9-18-12(13-10)14-19(15,16)8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKeyVGMGWVMYMQQKBN-UHFFFAOYSA-N
XLogP2.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide 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-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide (CID 56764848) is N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide is Cc1csc(NS(=O)(=O)CCOc2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide?
The InChIKey is VGMGWVMYMQQKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-10-9-18-12(13-10)14-19(15,16)8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 56764848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).