4-methylbenzenesulfonamide;piperidin-2-one

C12H18N2O3S — CID 139048314

IUPAC4-methylbenzenesulfonamide;piperidin-2-one
SMILESCc1ccc(S(N)(=O)=O)cc1.O=C1CCCCN1
InChIInChI=1S/C7H9NO2S.C5H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-1-2-4-6-5/h2-5H,1H3,(H2,8,9,10);1-4H2,(H,6,7)
InChIKeyGCPSUCWHMICQPG-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.93
Rot. Bonds1

About 4-methylbenzenesulfonamide;piperidin-2-one

4-methylbenzenesulfonamide;piperidin-2-one (PubChem CID 139048314) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-methylbenzenesulfonamide;piperidin-2-one.

Molecular Properties

Compound Name4-methylbenzenesulfonamide;piperidin-2-one
PubChem CID139048314
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-methylbenzenesulfonamide;piperidin-2-one
SMILESCc1ccc(S(N)(=O)=O)cc1.O=C1CCCCN1
InChIInChI=1S/C7H9NO2S.C5H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-1-2-4-6-5/h2-5H,1H3,(H2,8,9,10);1-4H2,(H,6,7)
InChIKeyGCPSUCWHMICQPG-UHFFFAOYSA-N
XLogP0.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylbenzenesulfonamide;piperidin-2-one?
The IUPAC name of 4-methylbenzenesulfonamide;piperidin-2-one (CID 139048314) is 4-methylbenzenesulfonamide;piperidin-2-one.
What is the SMILES notation for 4-methylbenzenesulfonamide;piperidin-2-one?
The canonical SMILES for 4-methylbenzenesulfonamide;piperidin-2-one is Cc1ccc(S(N)(=O)=O)cc1.O=C1CCCCN1.
What is the InChIKey of 4-methylbenzenesulfonamide;piperidin-2-one?
The InChIKey is GCPSUCWHMICQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C5H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-1-2-4-6-5/h2-5H,1H3,(H2,8,9,10);1-4H2,(H,6,7).
What are the key properties of 4-methylbenzenesulfonamide;piperidin-2-one?
4-methylbenzenesulfonamide;piperidin-2-one has a molecular weight of 270.35 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzenesulfonamide;piperidin-2-one is sourced from PubChem (CID 139048314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).