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

C16H19Cl2N3O3S2 — CID 87545701

IUPAC2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2)cs1
InChIInChI=1S/C16H19Cl2N3O3S2/c1-11-8-12(17)9-14(18)15(11)26(22,23)20-16-19-13(10-25-16)2-3-21-4-6-24-7-5-21/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyQTJHLKOOYLTLMU-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.43
Rot. Bonds6

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

2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 87545701) has the molecular formula C16H19Cl2N3O3S2 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID87545701
Molecular FormulaC16H19Cl2N3O3S2
Molecular Weight436.39 g/mol
Exact Mass435.02
IUPAC Name2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2)cs1
InChIInChI=1S/C16H19Cl2N3O3S2/c1-11-8-12(17)9-14(18)15(11)26(22,23)20-16-19-13(10-25-16)2-3-21-4-6-24-7-5-21/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyQTJHLKOOYLTLMU-UHFFFAOYSA-N
XLogP3.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-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-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 87545701) is 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CCN2CCOCC2)cs1.
What is the InChIKey of 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is QTJHLKOOYLTLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3S2/c1-11-8-12(17)9-14(18)15(11)26(22,23)20-16-19-13(10-25-16)2-3-21-4-6-24-7-5-21/h8-10H,2-7H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 436.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 87545701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).