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

C15H18Cl2N4O3S2 — CID 22027896

IUPAC2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2)ns1
InChIInChI=1S/C15H18Cl2N4O3S2/c1-10-8-11(16)9-12(17)14(10)26(22,23)20-15-18-13(19-25-15)2-3-21-4-6-24-7-5-21/h8-9H,2-7H2,1H3,(H,18,19,20)
InChIKeyCMDFNDGXZVFYQZ-UHFFFAOYSA-N
MW437.37 g/mol
LogP2.83
Rot. Bonds6

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

2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 22027896) has the molecular formula C15H18Cl2N4O3S2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID22027896
Molecular FormulaC15H18Cl2N4O3S2
Molecular Weight437.37 g/mol
Exact Mass436.02
IUPAC Name2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2)ns1
InChIInChI=1S/C15H18Cl2N4O3S2/c1-10-8-11(16)9-12(17)14(10)26(22,23)20-15-18-13(19-25-15)2-3-21-4-6-24-7-5-21/h8-9H,2-7H2,1H3,(H,18,19,20)
InChIKeyCMDFNDGXZVFYQZ-UHFFFAOYSA-N
XLogP2.83
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 52.83
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-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 22027896) is 2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2)ns1.
What is the InChIKey of 2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is CMDFNDGXZVFYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O3S2/c1-10-8-11(16)9-12(17)14(10)26(22,23)20-15-18-13(19-25-15)2-3-21-4-6-24-7-5-21/h8-9H,2-7H2,1H3,(H,18,19,20).
What are the key properties of 2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
2,4-dichloro-6-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 437.37 g/mol, XLogP of 2.83, 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-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22027896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).