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

C7H8ClF3N2O3S2 — CID 61046479

IUPAC2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)s1)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H8ClF3N2O3S2/c8-6-12-3-5(17-6)18(15,16)13(1-2-14)4-7(9,10)11/h3,14H,1-2,4H2
InChIKeyVMAXLFLQBGSMNJ-UHFFFAOYSA-N
MW324.73 g/mol
LogP1.34
Rot. Bonds5

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

2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61046479) has the molecular formula C7H8ClF3N2O3S2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61046479
Molecular FormulaC7H8ClF3N2O3S2
Molecular Weight324.73 g/mol
Exact Mass323.96
IUPAC Name2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)s1)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H8ClF3N2O3S2/c8-6-12-3-5(17-6)18(15,16)13(1-2-14)4-7(9,10)11/h3,14H,1-2,4H2
InChIKeyVMAXLFLQBGSMNJ-UHFFFAOYSA-N
XLogP1.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 25524462
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-[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-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61047432
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 65537575
2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide
CID 103414450
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 103847924
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847976
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 104858755
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 105644705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61046479) is 2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(c1cnc(Cl)s1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is VMAXLFLQBGSMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O3S2/c8-6-12-3-5(17-6)18(15,16)13(1-2-14)4-7(9,10)11/h3,14H,1-2,4H2.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 324.73 g/mol, XLogP of 1.34, 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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).