4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide

C16H19ClN4O4S2 — CID 22027997

IUPAC4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(C)c1S(=O)(=O)Nc1nc(CC(=O)N2CCOCC2)ns1
InChIInChI=1S/C16H19ClN4O4S2/c1-10-7-12(17)8-11(2)15(10)27(23,24)20-16-18-13(19-26-16)9-14(22)21-3-5-25-6-4-21/h7-8H,3-6,9H2,1-2H3,(H,18,19,20)
InChIKeyYIYGGWAGZGTZLR-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.01
Rot. Bonds5

About 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide

4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 22027997) has the molecular formula C16H19ClN4O4S2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID22027997
Molecular FormulaC16H19ClN4O4S2
Molecular Weight430.94 g/mol
Exact Mass430.05
IUPAC Name4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(C)c1S(=O)(=O)Nc1nc(CC(=O)N2CCOCC2)ns1
InChIInChI=1S/C16H19ClN4O4S2/c1-10-7-12(17)8-11(2)15(10)27(23,24)20-16-18-13(19-26-16)9-14(22)21-3-5-25-6-4-21/h7-8H,3-6,9H2,1-2H3,(H,18,19,20)
InChIKeyYIYGGWAGZGTZLR-UHFFFAOYSA-N
XLogP2.01
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 22027997) is 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is Cc1cc(Cl)cc(C)c1S(=O)(=O)Nc1nc(CC(=O)N2CCOCC2)ns1.
What is the InChIKey of 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is YIYGGWAGZGTZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O4S2/c1-10-7-12(17)8-11(2)15(10)27(23,24)20-16-18-13(19-26-16)9-14(22)21-3-5-25-6-4-21/h7-8H,3-6,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 430.94 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22027997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).