2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol

C10H11Cl2N3O2S — CID 65474474

IUPAC2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C10H11Cl2N3O2S/c11-6-5-7(12)9-10(15-18-14-9)8(6)13-1-3-17-4-2-16/h5,13,16H,1-4H2
InChIKeyWITQQGAGEZAPQG-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.42
Rot. Bonds6

About 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol

2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol (PubChem CID 65474474) has the molecular formula C10H11Cl2N3O2S and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol
PubChem CID65474474
Molecular FormulaC10H11Cl2N3O2S
Molecular Weight308.19 g/mol
Exact Mass306.99
IUPAC Name2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C10H11Cl2N3O2S/c11-6-5-7(12)9-10(15-18-14-9)8(6)13-1-3-17-4-2-16/h5,13,16H,1-4H2
InChIKeyWITQQGAGEZAPQG-UHFFFAOYSA-N
XLogP2.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol (CID 65474474) is 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol is OCCOCCNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol?
The InChIKey is WITQQGAGEZAPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2S/c11-6-5-7(12)9-10(15-18-14-9)8(6)13-1-3-17-4-2-16/h5,13,16H,1-4H2.
What are the key properties of 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol?
2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol has a molecular weight of 308.19 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 65474474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).