2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide

C15H16Cl2N4O3S3 — CID 22027991

IUPAC2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)N2CCSCC2)ns1
InChIInChI=1S/C15H16Cl2N4O3S3/c1-9-6-10(16)7-11(17)14(9)27(23,24)20-15-18-12(19-26-15)8-13(22)21-2-4-25-5-3-21/h6-7H,2-5,8H2,1H3,(H,18,19,20)
InChIKeyFJHPAKKQTKJAHA-UHFFFAOYSA-N
MW467.43 g/mol
LogP3.07
Rot. Bonds5

About 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide

2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 22027991) has the molecular formula C15H16Cl2N4O3S3 and a molecular weight of 467.43 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID22027991
Molecular FormulaC15H16Cl2N4O3S3
Molecular Weight467.43 g/mol
Exact Mass465.98
IUPAC Name2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)N2CCSCC2)ns1
InChIInChI=1S/C15H16Cl2N4O3S3/c1-9-6-10(16)7-11(17)14(9)27(23,24)20-15-18-12(19-26-15)8-13(22)21-2-4-25-5-3-21/h6-7H,2-5,8H2,1H3,(H,18,19,20)
InChIKeyFJHPAKKQTKJAHA-UHFFFAOYSA-N
XLogP3.07
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 22027991) is 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)N2CCSCC2)ns1.
What is the InChIKey of 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is FJHPAKKQTKJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3S3/c1-9-6-10(16)7-11(17)14(9)27(23,24)20-15-18-12(19-26-15)8-13(22)21-2-4-25-5-3-21/h6-7H,2-5,8H2,1H3,(H,18,19,20).
What are the key properties of 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 467.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methyl-N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22027991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).