N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide

C19H18ClFN2O3S2 — CID 71795673

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C19H18ClFN2O3S2/c1-13-18(27-19(23-13)16-4-2-3-5-17(16)20)12-22-28(24,25)11-10-26-15-8-6-14(21)7-9-15/h2-9,22H,10-12H2,1H3
InChIKeySKTPKADCUGQEQU-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.41
Rot. Bonds8

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 71795673) has the molecular formula C19H18ClFN2O3S2 and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID71795673
Molecular FormulaC19H18ClFN2O3S2
Molecular Weight440.95 g/mol
Exact Mass440.04
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C19H18ClFN2O3S2/c1-13-18(27-19(23-13)16-4-2-3-5-17(16)20)12-22-28(24,25)11-10-26-15-8-6-14(21)7-9-15/h2-9,22H,10-12H2,1H3
InChIKeySKTPKADCUGQEQU-UHFFFAOYSA-N
XLogP4.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide (CID 71795673) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide is Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)CCOc1ccc(F)cc1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is SKTPKADCUGQEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3S2/c1-13-18(27-19(23-13)16-4-2-3-5-17(16)20)12-22-28(24,25)11-10-26-15-8-6-14(21)7-9-15/h2-9,22H,10-12H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 440.95 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 71795673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).