2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

C8H13ClN2O3S2 — CID 43591351

IUPAC2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCOCCNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C8H13ClN2O3S2/c1-3-14-5-4-10-16(12,13)7-6(2)11-8(9)15-7/h10H,3-5H2,1-2H3
InChIKeyNTVAIBXZAMWBEO-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.42
Rot. Bonds6

About 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43591351) has the molecular formula C8H13ClN2O3S2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43591351
Molecular FormulaC8H13ClN2O3S2
Molecular Weight284.79 g/mol
Exact Mass284.01
IUPAC Name2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCOCCNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C8H13ClN2O3S2/c1-3-14-5-4-10-16(12,13)7-6(2)11-8(9)15-7/h10H,3-5H2,1-2H3
InChIKeyNTVAIBXZAMWBEO-UHFFFAOYSA-N
XLogP1.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43591351) is 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is CCOCCNS(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is NTVAIBXZAMWBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3S2/c1-3-14-5-4-10-16(12,13)7-6(2)11-8(9)15-7/h10H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 284.79 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43591351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).