CID 170564791

C7H4Cl2NO3SSi — CID 170564791

IUPAC—
SMILESO=C1c2ccccc2S(=O)(=O)N1[Si](Cl)Cl
InChIInChI=1S/C7H4Cl2NO3SSi/c8-15(9)10-7(11)5-3-1-2-4-6(5)14(10,12)13/h1-4H
InChIKeyMHOLJXIMLKNOKC-UHFFFAOYSA-N
MW281.17 g/mol
LogP1.29
Rot. Bonds1

About CID 170564791

CID 170564791 (PubChem CID 170564791) has the molecular formula C7H4Cl2NO3SSi and a molecular weight of 281.17 g/mol.

Molecular Properties

Compound NameCID 170564791
PubChem CID170564791
Molecular FormulaC7H4Cl2NO3SSi
Molecular Weight281.17 g/mol
Exact Mass279.91
IUPAC Name—
SMILESO=C1c2ccccc2S(=O)(=O)N1[Si](Cl)Cl
InChIInChI=1S/C7H4Cl2NO3SSi/c8-15(9)10-7(11)5-3-1-2-4-6(5)14(10,12)13/h1-4H
InChIKeyMHOLJXIMLKNOKC-UHFFFAOYSA-N
XLogP1.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 54531950
N-(4-chlorophenyl)-1,1,3-trioxo-1,2-benzothiazole-2-carboxamide
CID 139811353
2-butanoyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 66664926
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethanesulfonyl chloride
CID 131472183
2-(5-chloropentyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 43168516
8-oxo-8-(1,1,3-trioxo-1,2-benzothiazol-2-yl)octanoyl chloride
CID 11739822
2-[2-(4-chlorophenyl)acetyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 175283369
2-benzoyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 569566
2-(2-bromophenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 971231
2-(4-chlorophenyl)sulfonyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 3621349
2-(3,5-dichloro-4-hydroxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 22095886
2-[(4-chlorophenyl)-phenylmethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 176900604

Frequently Asked Questions

What is the IUPAC name of CID 170564791?
The IUPAC name of CID 170564791 (CID 170564791) is not available.
What is the SMILES notation for CID 170564791?
The canonical SMILES for CID 170564791 is O=C1c2ccccc2S(=O)(=O)N1[Si](Cl)Cl.
What is the InChIKey of CID 170564791?
The InChIKey is MHOLJXIMLKNOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2NO3SSi/c8-15(9)10-7(11)5-3-1-2-4-6(5)14(10,12)13/h1-4H.
What are the key properties of CID 170564791?
CID 170564791 has a molecular weight of 281.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170564791 is sourced from PubChem (CID 170564791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).