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

C14H16Cl2N4O3S2 — CID 22027899

IUPAC2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(CCN2CCOCC2)ns1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4O3S2/c15-10-1-2-12(11(16)9-10)25(21,22)19-14-17-13(18-24-14)3-4-20-5-7-23-8-6-20/h1-2,9H,3-8H2,(H,17,18,19)
InChIKeyJODDAAHCLCOHRU-UHFFFAOYSA-N
MW423.35 g/mol
LogP2.52
Rot. Bonds6

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

2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 22027899) has the molecular formula C14H16Cl2N4O3S2 and a molecular weight of 423.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID22027899
Molecular FormulaC14H16Cl2N4O3S2
Molecular Weight423.35 g/mol
Exact Mass422.00
IUPAC Name2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(CCN2CCOCC2)ns1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4O3S2/c15-10-1-2-12(11(16)9-10)25(21,22)19-14-17-13(18-24-14)3-4-20-5-7-23-8-6-20/h1-2,9H,3-8H2,(H,17,18,19)
InChIKeyJODDAAHCLCOHRU-UHFFFAOYSA-N
XLogP2.52
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 22027899) is 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1nc(CCN2CCOCC2)ns1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is JODDAAHCLCOHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O3S2/c15-10-1-2-12(11(16)9-10)25(21,22)19-14-17-13(18-24-14)3-4-20-5-7-23-8-6-20/h1-2,9H,3-8H2,(H,17,18,19).
What are the key properties of 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 423.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22027899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).