3-ethyl-2-methylsulfonylbenzamide;hydrochloride

C10H14ClNO3S — CID 122516953

IUPAC3-ethyl-2-methylsulfonylbenzamide;hydrochloride
SMILESCCc1cccc(C(N)=O)c1S(C)(=O)=O.Cl
InChIInChI=1S/C10H13NO3S.ClH/c1-3-7-5-4-6-8(10(11)12)9(7)15(2,13)14;/h4-6H,3H2,1-2H3,(H2,11,12);1H
InChIKeyZXIFTIPZDJSCIL-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.17
Rot. Bonds3

About 3-ethyl-2-methylsulfonylbenzamide;hydrochloride

3-ethyl-2-methylsulfonylbenzamide;hydrochloride (PubChem CID 122516953) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-ethyl-2-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-ethyl-2-methylsulfonylbenzamide;hydrochloride
PubChem CID122516953
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name3-ethyl-2-methylsulfonylbenzamide;hydrochloride
SMILESCCc1cccc(C(N)=O)c1S(C)(=O)=O.Cl
InChIInChI=1S/C10H13NO3S.ClH/c1-3-7-5-4-6-8(10(11)12)9(7)15(2,13)14;/h4-6H,3H2,1-2H3,(H2,11,12);1H
InChIKeyZXIFTIPZDJSCIL-UHFFFAOYSA-N
XLogP1.17
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2,3-dimethylphenoxy)-3-ethylbenzamide
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3-amino-2-ethylbenzamide;dihydrochloride
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2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide
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2-ethyl-6-(3-ethyl-2-sulfobenzoyl)oxycarbonylbenzenesulfonic acid
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3-ethyl-2-methylsulfonylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of 3-ethyl-2-methylsulfonylbenzamide;hydrochloride (CID 122516953) is 3-ethyl-2-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for 3-ethyl-2-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for 3-ethyl-2-methylsulfonylbenzamide;hydrochloride is CCc1cccc(C(N)=O)c1S(C)(=O)=O.Cl.
What is the InChIKey of 3-ethyl-2-methylsulfonylbenzamide;hydrochloride?
The InChIKey is ZXIFTIPZDJSCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S.ClH/c1-3-7-5-4-6-8(10(11)12)9(7)15(2,13)14;/h4-6H,3H2,1-2H3,(H2,11,12);1H.
What are the key properties of 3-ethyl-2-methylsulfonylbenzamide;hydrochloride?
3-ethyl-2-methylsulfonylbenzamide;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 122516953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).