2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide

C12H13ClN2O4S2 — CID 60749387

IUPAC2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1OC
InChIInChI=1S/C12H13ClN2O4S2/c1-3-19-9-5-4-8(6-10(9)18-2)15-21(16,17)11-7-14-12(13)20-11/h4-7,15H,3H2,1-2H3
InChIKeyJMFMUUFZDRXPBB-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.00
Rot. Bonds6

About 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 60749387) has the molecular formula C12H13ClN2O4S2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID60749387
Molecular FormulaC12H13ClN2O4S2
Molecular Weight348.83 g/mol
Exact Mass348.00
IUPAC Name2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1OC
InChIInChI=1S/C12H13ClN2O4S2/c1-3-19-9-5-4-8(6-10(9)18-2)15-21(16,17)11-7-14-12(13)20-11/h4-7,15H,3H2,1-2H3
InChIKeyJMFMUUFZDRXPBB-UHFFFAOYSA-N
XLogP3.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide (CID 60749387) is 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1OC.
What is the InChIKey of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is JMFMUUFZDRXPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S2/c1-3-19-9-5-4-8(6-10(9)18-2)15-21(16,17)11-7-14-12(13)20-11/h4-7,15H,3H2,1-2H3.
What are the key properties of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 348.83 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60749387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).