5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one

C18H22N2O3S — CID 53170573

IUPAC5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCCCC2)cn1Cc1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-18-11-10-17(15-19(18)14-16-8-4-3-5-9-16)24(22,23)20-12-6-1-2-7-13-20/h3-5,8-11,15H,1-2,6-7,12-14H2
InChIKeyGDZONHGBRVXIMC-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.46
Rot. Bonds4

About 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one

5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one (PubChem CID 53170573) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
PubChem CID53170573
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCCCC2)cn1Cc1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-18-11-10-17(15-19(18)14-16-8-4-3-5-9-16)24(22,23)20-12-6-1-2-7-13-20/h3-5,8-11,15H,1-2,6-7,12-14H2
InChIKeyGDZONHGBRVXIMC-UHFFFAOYSA-N
XLogP2.46
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 53170579
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 7893131
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9183833
1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170592
6-(azepan-1-ylsulfonyl)-2-benzyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53158007
1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170598
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 33339009
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
6-(azepan-1-ylsulfonyl)-3-benzyl-1,3-benzothiazol-2-one
CID 100740114
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one (CID 53170573) is 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCCCC2)cn1Cc1ccccc1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one?
The InChIKey is GDZONHGBRVXIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18-11-10-17(15-19(18)14-16-8-4-3-5-9-16)24(22,23)20-12-6-1-2-7-13-20/h3-5,8-11,15H,1-2,6-7,12-14H2.
What are the key properties of 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one?
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one has a molecular weight of 346.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one is sourced from PubChem (CID 53170573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).