3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide

C14H12BrClN2O3S — CID 168931538

IUPAC3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide
SMILESO=S1(=O)C=C(Br)c2ccc3c(c(Cl)nn3C3CCCCO3)c21
InChIInChI=1S/C14H12BrClN2O3S/c15-9-7-22(19,20)13-8(9)4-5-10-12(13)14(16)17-18(10)11-3-1-2-6-21-11/h4-5,7,11H,1-3,6H2
InChIKeySIDZOVWSFJCTDD-UHFFFAOYSA-N
MW403.69 g/mol
LogP3.87
Rot. Bonds1

About 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide

3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide (PubChem CID 168931538) has the molecular formula C14H12BrClN2O3S and a molecular weight of 403.69 g/mol. Its IUPAC name is 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide.

Molecular Properties

Compound Name3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide
PubChem CID168931538
Molecular FormulaC14H12BrClN2O3S
Molecular Weight403.69 g/mol
Exact Mass401.94
IUPAC Name3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide
SMILESO=S1(=O)C=C(Br)c2ccc3c(c(Cl)nn3C3CCCCO3)c21
InChIInChI=1S/C14H12BrClN2O3S/c15-9-7-22(19,20)13-8(9)4-5-10-12(13)14(16)17-18(10)11-3-1-2-6-21-11/h4-5,7,11H,1-3,6H2
InChIKeySIDZOVWSFJCTDD-UHFFFAOYSA-N
XLogP3.87
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.69
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-(oxan-2-yl)indazole
CID 66909910
4-bromo-3-chloro-5-methyl-1-(oxan-2-yl)indazole;3-chloro-5-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane
CID 158976029
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
3-chloro-5-ethenyl-1-(oxan-2-yl)indazole
CID 176887222
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole
CID 169184718
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol
CID 169101637
4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol
CID 169101675
5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
CID 129411061
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
CID 71272763
3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide?
The IUPAC name of 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide (CID 168931538) is 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide.
What is the SMILES notation for 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide?
The canonical SMILES for 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide is O=S1(=O)C=C(Br)c2ccc3c(c(Cl)nn3C3CCCCO3)c21.
What is the InChIKey of 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide?
The InChIKey is SIDZOVWSFJCTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3S/c15-9-7-22(19,20)13-8(9)4-5-10-12(13)14(16)17-18(10)11-3-1-2-6-21-11/h4-5,7,11H,1-3,6H2.
What are the key properties of 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide?
3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide has a molecular weight of 403.69 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-6-(oxan-2-yl)thieno[2,3-e]indazole 1,1-dioxide is sourced from PubChem (CID 168931538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).