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

C20H18Cl2N4O4S2 — CID 22028078

IUPAC4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESO=C(Cc1nsc(NS(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)n1)N1CCOCC1
InChIInChI=1S/C20H18Cl2N4O4S2/c21-16-6-3-14(11-17(16)22)13-1-4-15(5-2-13)32(28,29)25-20-23-18(24-31-20)12-19(27)26-7-9-30-10-8-26/h1-6,11H,7-10,12H2,(H,23,24,25)
InChIKeyPHYVWWFHQUNPIM-UHFFFAOYSA-N
MW513.43 g/mol
LogP3.71
Rot. Bonds6

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

4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 22028078) has the molecular formula C20H18Cl2N4O4S2 and a molecular weight of 513.43 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID22028078
Molecular FormulaC20H18Cl2N4O4S2
Molecular Weight513.43 g/mol
Exact Mass512.01
IUPAC Name4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESO=C(Cc1nsc(NS(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)n1)N1CCOCC1
InChIInChI=1S/C20H18Cl2N4O4S2/c21-16-6-3-14(11-17(16)22)13-1-4-15(5-2-13)32(28,29)25-20-23-18(24-31-20)12-19(27)26-7-9-30-10-8-26/h1-6,11H,7-10,12H2,(H,23,24,25)
InChIKeyPHYVWWFHQUNPIM-UHFFFAOYSA-N
XLogP3.71
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide
CID 22027960
N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
CID 22028015
4-[3,5-bis(trifluoromethyl)phenyl]-N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 11490119
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11455323
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 11294744
4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
CID 11719465
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-4-propylbenzenesulfonamide
CID 11373211
4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 142679225
N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide
CID 22028076
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 10127500
2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone
CID 50850478

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 22028078) is 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is O=C(Cc1nsc(NS(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)n1)N1CCOCC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is PHYVWWFHQUNPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4S2/c21-16-6-3-14(11-17(16)22)13-1-4-15(5-2-13)32(28,29)25-20-23-18(24-31-20)12-19(27)26-7-9-30-10-8-26/h1-6,11H,7-10,12H2,(H,23,24,25).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 513.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22028078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).