sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride

C14H15ClF3N2NaO3S2 — CID 162109566

IUPACsodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCOCC(F)(F)F)cs1.[H-].[Na+]
InChIInChI=1S/C14H14ClF3N2O3S2.Na.H/c1-9-11(15)3-2-4-12(9)25(21,22)20-13-19-10(7-24-13)5-6-23-8-14(16,17)18;;/h2-4,7H,5-6,8H2,1H3,(H,19,20);;/q;+1;-1
InChIKeyZFYVVXCFTJVIRS-UHFFFAOYSA-N
MW438.86 g/mol
LogP1.14
Rot. Bonds7

About sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride

sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride (PubChem CID 162109566) has the molecular formula C14H15ClF3N2NaO3S2 and a molecular weight of 438.86 g/mol. Its IUPAC name is sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride.

Molecular Properties

Compound Namesodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride
PubChem CID162109566
Molecular FormulaC14H15ClF3N2NaO3S2
Molecular Weight438.86 g/mol
Exact Mass438.01
IUPAC Namesodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCOCC(F)(F)F)cs1.[H-].[Na+]
InChIInChI=1S/C14H14ClF3N2O3S2.Na.H/c1-9-11(15)3-2-4-12(9)25(21,22)20-13-19-10(7-24-13)5-6-23-8-14(16,17)18;;/h2-4,7H,5-6,8H2,1H3,(H,19,20);;/q;+1;-1
InChIKeyZFYVVXCFTJVIRS-UHFFFAOYSA-N
XLogP1.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 51.14
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 sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride?
The IUPAC name of sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride (CID 162109566) is sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride.
What is the SMILES notation for sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride?
The canonical SMILES for sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCOCC(F)(F)F)cs1.[H-].[Na+].
What is the InChIKey of sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride?
The InChIKey is ZFYVVXCFTJVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O3S2.Na.H/c1-9-11(15)3-2-4-12(9)25(21,22)20-13-19-10(7-24-13)5-6-23-8-14(16,17)18;;/h2-4,7H,5-6,8H2,1H3,(H,19,20);;/q;+1;-1.
What are the key properties of sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride?
sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride has a molecular weight of 438.86 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride is sourced from PubChem (CID 162109566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).