4-methylsulfonylbenzamide;hydrochloride

C8H10ClNO3S — CID 71184405

IUPAC4-methylsulfonylbenzamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C8H9NO3S.ClH/c1-13(11,12)7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H2,9,10);1H
InChIKeyHTJWEYNKKDOMOB-UHFFFAOYSA-N
MW235.69 g/mol
LogP0.61
Rot. Bonds2

About 4-methylsulfonylbenzamide;hydrochloride

4-methylsulfonylbenzamide;hydrochloride (PubChem CID 71184405) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 4-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-methylsulfonylbenzamide;hydrochloride
PubChem CID71184405
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name4-methylsulfonylbenzamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C8H9NO3S.ClH/c1-13(11,12)7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H2,9,10);1H
InChIKeyHTJWEYNKKDOMOB-UHFFFAOYSA-N
XLogP0.61
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of 4-methylsulfonylbenzamide;hydrochloride (CID 71184405) is 4-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for 4-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for 4-methylsulfonylbenzamide;hydrochloride is CS(=O)(=O)c1ccc(C(N)=O)cc1.Cl.
What is the InChIKey of 4-methylsulfonylbenzamide;hydrochloride?
The InChIKey is HTJWEYNKKDOMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S.ClH/c1-13(11,12)7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H2,9,10);1H.
What are the key properties of 4-methylsulfonylbenzamide;hydrochloride?
4-methylsulfonylbenzamide;hydrochloride has a molecular weight of 235.69 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 71184405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).