3-ethylsulfonylbenzamide

C9H11NO3S — CID 19959699

IUPAC3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C9H11NO3S/c1-2-14(12,13)8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
InChIKeyMNDTXCMZKVEZQN-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.58
Rot. Bonds3

About 3-ethylsulfonylbenzamide

3-ethylsulfonylbenzamide (PubChem CID 19959699) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-ethylsulfonylbenzamide.

Molecular Properties

Compound Name3-ethylsulfonylbenzamide
PubChem CID19959699
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C9H11NO3S/c1-2-14(12,13)8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
InChIKeyMNDTXCMZKVEZQN-UHFFFAOYSA-N
XLogP0.58
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonylbenzamide?
The IUPAC name of 3-ethylsulfonylbenzamide (CID 19959699) is 3-ethylsulfonylbenzamide.
What is the SMILES notation for 3-ethylsulfonylbenzamide?
The canonical SMILES for 3-ethylsulfonylbenzamide is CCS(=O)(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-ethylsulfonylbenzamide?
The InChIKey is MNDTXCMZKVEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-2-14(12,13)8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H2,10,11).
What are the key properties of 3-ethylsulfonylbenzamide?
3-ethylsulfonylbenzamide has a molecular weight of 213.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonylbenzamide is sourced from PubChem (CID 19959699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).