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

C10H14ClF3N2O3S2 — CID 61047432

IUPAC2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H14ClF3N2O3S2/c1-2-19-5-3-4-16(7-10(12,13)14)21(17,18)8-6-15-9(11)20-8/h6H,2-5,7H2,1H3
InChIKeyUPDLAHPDWPCZPZ-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.78
Rot. Bonds8

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

2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61047432) has the molecular formula C10H14ClF3N2O3S2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61047432
Molecular FormulaC10H14ClF3N2O3S2
Molecular Weight366.81 g/mol
Exact Mass366.01
IUPAC Name2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H14ClF3N2O3S2/c1-2-19-5-3-4-16(7-10(12,13)14)21(17,18)8-6-15-9(11)20-8/h6H,2-5,7H2,1H3
InChIKeyUPDLAHPDWPCZPZ-UHFFFAOYSA-N
XLogP2.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 54979823
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010800
2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010851
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
CID 55261268
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 60892146
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61044861
Methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate
CID 61045413
2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045588
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045951
2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046479
2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046507
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 65537575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61047432) is 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CCOCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UPDLAHPDWPCZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N2O3S2/c1-2-19-5-3-4-16(7-10(12,13)14)21(17,18)8-6-15-9(11)20-8/h6H,2-5,7H2,1H3.
What are the key properties of 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 366.81 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61047432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).