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

C13H16N2O3S2 — CID 3236106

IUPAC4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-3-18-12-4-6-13(7-5-12)20(16,17)14-8-11-9-19-10(2)15-11/h4-7,9,14H,3,8H2,1-2H3
InChIKeyWAOBODQUKCCDML-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds6

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

4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 3236106) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID3236106
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-3-18-12-4-6-13(7-5-12)20(16,17)14-8-11-9-19-10(2)15-11/h4-7,9,14H,3,8H2,1-2H3
InChIKeyWAOBODQUKCCDML-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 3236106) is 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is WAOBODQUKCCDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-3-18-12-4-6-13(7-5-12)20(16,17)14-8-11-9-19-10(2)15-11/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3236106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).