N-methylbenzamide;sulfuryl dichloride

C8H9Cl2NO3S — CID 158851255

IUPACN-methylbenzamide;sulfuryl dichloride
SMILESCNC(=O)c1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H9NO.Cl2O2S/c1-9-8(10)7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3,(H,9,10);
InChIKeyIZMAGVCLNIMEDL-UHFFFAOYSA-N
MW270.14 g/mol
LogP1.75
Rot. Bonds1

About N-methylbenzamide;sulfuryl dichloride

N-methylbenzamide;sulfuryl dichloride (PubChem CID 158851255) has the molecular formula C8H9Cl2NO3S and a molecular weight of 270.14 g/mol. Its IUPAC name is N-methylbenzamide;sulfuryl dichloride.

Molecular Properties

Compound NameN-methylbenzamide;sulfuryl dichloride
PubChem CID158851255
Molecular FormulaC8H9Cl2NO3S
Molecular Weight270.14 g/mol
Exact Mass268.97
IUPAC NameN-methylbenzamide;sulfuryl dichloride
SMILESCNC(=O)c1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H9NO.Cl2O2S/c1-9-8(10)7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3,(H,9,10);
InChIKeyIZMAGVCLNIMEDL-UHFFFAOYSA-N
XLogP1.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylbenzamide;sulfuryl dichloride?
The IUPAC name of N-methylbenzamide;sulfuryl dichloride (CID 158851255) is N-methylbenzamide;sulfuryl dichloride.
What is the SMILES notation for N-methylbenzamide;sulfuryl dichloride?
The canonical SMILES for N-methylbenzamide;sulfuryl dichloride is CNC(=O)c1ccccc1.O=S(=O)(Cl)Cl.
What is the InChIKey of N-methylbenzamide;sulfuryl dichloride?
The InChIKey is IZMAGVCLNIMEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.Cl2O2S/c1-9-8(10)7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3,(H,9,10);.
What are the key properties of N-methylbenzamide;sulfuryl dichloride?
N-methylbenzamide;sulfuryl dichloride has a molecular weight of 270.14 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbenzamide;sulfuryl dichloride is sourced from PubChem (CID 158851255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).