4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine

C14H21Cl2N3O3S — CID 110308375

IUPAC4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine
SMILESCOCCN1C(C)CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1C
InChIInChI=1S/C14H21Cl2N3O3S/c1-10-8-18(9-11(2)19(10)4-5-22-3)23(20,21)12-6-13(15)14(16)17-7-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyGMMITWKWRJASDC-UHFFFAOYSA-N
MW382.31 g/mol
LogP2.12
Rot. Bonds5

About 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine

4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine (PubChem CID 110308375) has the molecular formula C14H21Cl2N3O3S and a molecular weight of 382.31 g/mol. Its IUPAC name is 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine
PubChem CID110308375
Molecular FormulaC14H21Cl2N3O3S
Molecular Weight382.31 g/mol
Exact Mass381.07
IUPAC Name4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine
SMILESCOCCN1C(C)CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1C
InChIInChI=1S/C14H21Cl2N3O3S/c1-10-8-18(9-11(2)19(10)4-5-22-3)23(20,21)12-6-13(15)14(16)17-7-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyGMMITWKWRJASDC-UHFFFAOYSA-N
XLogP2.12
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine 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 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
The IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine (CID 110308375) is 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine.
What is the SMILES notation for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
The canonical SMILES for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine is COCCN1C(C)CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1C.
What is the InChIKey of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
The InChIKey is GMMITWKWRJASDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O3S/c1-10-8-18(9-11(2)19(10)4-5-22-3)23(20,21)12-6-13(15)14(16)17-7-12/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine has a molecular weight of 382.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 110308375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).