4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C13H16N2O2S2 — CID 23603420

IUPAC4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-3-11-4-6-13(7-5-11)19(16,17)14-8-12-9-18-10(2)15-12/h4-7,9,14H,3,8H2,1-2H3
InChIKeyPJRHEZLZKKWTSU-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.49
Rot. Bonds5

About 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 23603420) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID23603420
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-3-11-4-6-13(7-5-11)19(16,17)14-8-12-9-18-10(2)15-12/h4-7,9,14H,3,8H2,1-2H3
InChIKeyPJRHEZLZKKWTSU-UHFFFAOYSA-N
XLogP2.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 23603420) is 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1.
What is the InChIKey of 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is PJRHEZLZKKWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-3-11-4-6-13(7-5-11)19(16,17)14-8-12-9-18-10(2)15-12/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 23603420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).