2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide

C6H9ClN2O3S2 — CID 43455775

IUPAC2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2O3S2/c1-12-3-2-9-14(10,11)5-4-8-6(7)13-5/h4,9H,2-3H2,1H3
InChIKeyKHFFDNZUKPCQMQ-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.72
Rot. Bonds5

About 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455775) has the molecular formula C6H9ClN2O3S2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
PubChem CID43455775
Molecular FormulaC6H9ClN2O3S2
Molecular Weight256.74 g/mol
Exact Mass255.97
IUPAC Name2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2O3S2/c1-12-3-2-9-14(10,11)5-4-8-6(7)13-5/h4,9H,2-3H2,1H3
InChIKeyKHFFDNZUKPCQMQ-UHFFFAOYSA-N
XLogP0.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.72
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-methoxyethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide (CID 43455775) is 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide is COCCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is KHFFDNZUKPCQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O3S2/c1-12-3-2-9-14(10,11)5-4-8-6(7)13-5/h4,9H,2-3H2,1H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 256.74 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).