2-(benzenesulfonyl)cyclohex-2-en-1-one

C12H12O3S — CID 11776271

IUPAC2-(benzenesulfonyl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2
InChIKeySBYRWEPBTOZAGE-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.10
Rot. Bonds2

About 2-(benzenesulfonyl)cyclohex-2-en-1-one

2-(benzenesulfonyl)cyclohex-2-en-1-one (PubChem CID 11776271) has the molecular formula C12H12O3S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(benzenesulfonyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)cyclohex-2-en-1-one
PubChem CID11776271
Molecular FormulaC12H12O3S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name2-(benzenesulfonyl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2
InChIKeySBYRWEPBTOZAGE-UHFFFAOYSA-N
XLogP2.10
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(benzenesulfonyl)cyclohex-2-en-1-one (CID 11776271) is 2-(benzenesulfonyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(benzenesulfonyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(benzenesulfonyl)cyclohex-2-en-1-one is O=C1CCCC=C1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)cyclohex-2-en-1-one?
The InChIKey is SBYRWEPBTOZAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 2-(benzenesulfonyl)cyclohex-2-en-1-one?
2-(benzenesulfonyl)cyclohex-2-en-1-one has a molecular weight of 236.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11776271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).