3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one

C14H15NO3S — CID 15447159

IUPAC3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H15NO3S/c1-10(2)12-8-9-13(14(16)15-12)19(17,18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,15,16)
InChIKeyAGYNXNJNQIEHPE-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.33
Rot. Bonds3

About 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one

3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 15447159) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID15447159
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H15NO3S/c1-10(2)12-8-9-13(14(16)15-12)19(17,18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,15,16)
InChIKeyAGYNXNJNQIEHPE-UHFFFAOYSA-N
XLogP2.33
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 2766974
3-[(5-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1476554
3-[(4-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1476562
3-[(2-fluorophenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1483835
5-Chloro-4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 3249236
4,5,6-trimethyl-3-[(4-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 3646198
3-[(4-chlorophenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 3811957
3-[(2-chlorophenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 3842000
3-(benzylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone
CID 1479284
3-[(2-isopropylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 4669628
3-[(3-chlorophenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 3528155
4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 3762987

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one (CID 15447159) is 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(S(=O)(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is AGYNXNJNQIEHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10(2)12-8-9-13(14(16)15-12)19(17,18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,15,16).
What are the key properties of 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one?
3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 277.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 15447159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).