3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C17H19N3O3S — CID 53284171

IUPAC3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccccn2)ccc1N1CCCC1=O
InChIInChI=1S/C17H19N3O3S/c1-13-11-15(7-8-16(13)20-10-4-6-17(20)21)24(22,23)19-12-14-5-2-3-9-18-14/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3
InChIKeyJBAWASUCQHURKG-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.00
Rot. Bonds5

About 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 53284171) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID53284171
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccccn2)ccc1N1CCCC1=O
InChIInChI=1S/C17H19N3O3S/c1-13-11-15(7-8-16(13)20-10-4-6-17(20)21)24(22,23)19-12-14-5-2-3-9-18-14/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3
InChIKeyJBAWASUCQHURKG-UHFFFAOYSA-N
XLogP2.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46773064
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
CID 18584398
3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide
CID 50760117
N-(2-tert-butylsulfanylethyl)-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28566256
3-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53278543
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92675536
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38002704
N-[(2S)-butan-2-yl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019233
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-pentan-3-ylbenzenesulfonamide
CID 53284182
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 133145245
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048
N-[3-(2-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99955331

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 53284171) is 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccccn2)ccc1N1CCCC1=O.
What is the InChIKey of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JBAWASUCQHURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13-11-15(7-8-16(13)20-10-4-6-17(20)21)24(22,23)19-12-14-5-2-3-9-18-14/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3.
What are the key properties of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 53284171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).