2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide

C15H16Cl2N4O4S2 — CID 22027951

IUPAC2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2=O)ns1
InChIInChI=1S/C15H16Cl2N4O4S2/c1-9-6-10(16)7-11(17)14(9)27(23,24)20-15-18-12(19-26-15)2-3-21-4-5-25-8-13(21)22/h6-7H,2-5,8H2,1H3,(H,18,19,20)
InChIKeyFEUMHGIOFIJGJH-UHFFFAOYSA-N
MW451.36 g/mol
LogP2.36
Rot. Bonds6

About 2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide

2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 22027951) has the molecular formula C15H16Cl2N4O4S2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID22027951
Molecular FormulaC15H16Cl2N4O4S2
Molecular Weight451.36 g/mol
Exact Mass450.00
IUPAC Name2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2=O)ns1
InChIInChI=1S/C15H16Cl2N4O4S2/c1-9-6-10(16)7-11(17)14(9)27(23,24)20-15-18-12(19-26-15)2-3-21-4-5-25-8-13(21)22/h6-7H,2-5,8H2,1H3,(H,18,19,20)
InChIKeyFEUMHGIOFIJGJH-UHFFFAOYSA-N
XLogP2.36
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 52.36
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-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 22027951) is 2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2=O)ns1.
What is the InChIKey of 2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is FEUMHGIOFIJGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O4S2/c1-9-6-10(16)7-11(17)14(9)27(23,24)20-15-18-12(19-26-15)2-3-21-4-5-25-8-13(21)22/h6-7H,2-5,8H2,1H3,(H,18,19,20).
What are the key properties of 2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 451.36 g/mol, XLogP of 2.36, 6 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-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22027951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).