4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide

C21H19ClN2O3S2 — CID 75204334

IUPAC4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2sc(CC3CCCC3=O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S2/c22-16-8-4-13(5-9-16)20-21(14-6-10-17(11-7-14)29(23,26)27)28-19(24-20)12-15-2-1-3-18(15)25/h4-11,15H,1-3,12H2,(H2,23,26,27)
InChIKeyWEIYBNZUUTUNTE-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.69
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide

4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide (PubChem CID 75204334) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide
PubChem CID75204334
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC Name4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2sc(CC3CCCC3=O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S2/c22-16-8-4-13(5-9-16)20-21(14-6-10-17(11-7-14)29(23,26)27)28-19(24-20)12-15-2-1-3-18(15)25/h4-11,15H,1-3,12H2,(H2,23,26,27)
InChIKeyWEIYBNZUUTUNTE-UHFFFAOYSA-N
XLogP4.69
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide (CID 75204334) is 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2sc(CC3CCCC3=O)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide?
The InChIKey is WEIYBNZUUTUNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c22-16-8-4-13(5-9-16)20-21(14-6-10-17(11-7-14)29(23,26)27)28-19(24-20)12-15-2-1-3-18(15)25/h4-11,15H,1-3,12H2,(H2,23,26,27).
What are the key properties of 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide?
4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide has a molecular weight of 446.98 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-2-[(2-oxocyclopentyl)methyl]-1,3-thiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 75204334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).