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

C13H16N2O3S2 — CID 110723612

IUPAC4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2nc(C)cs2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-4-18-11-5-7-12(8-6-11)20(16,17)15(3)13-14-10(2)9-19-13/h5-9H,4H2,1-3H3
InChIKeyZQKWMKBUECWYDB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.68
Rot. Bonds5

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

4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110723612) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110723612
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2nc(C)cs2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-4-18-11-5-7-12(8-6-11)20(16,17)15(3)13-14-10(2)9-19-13/h5-9H,4H2,1-3H3
InChIKeyZQKWMKBUECWYDB-UHFFFAOYSA-N
XLogP2.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723615
4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde
CID 10446160
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
CID 47822854
4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723572
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
N-(4-ethoxyphenyl)sulfonyl-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 167959621
5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 86998664
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 96687368
4-chloro-N-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 6616680
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 110723612) is 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)c2nc(C)cs2)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZQKWMKBUECWYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-4-18-11-5-7-12(8-6-11)20(16,17)15(3)13-14-10(2)9-19-13/h5-9H,4H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110723612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).