2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide

C17H19N3O3S — CID 128977244

IUPAC2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1
InChIInChI=1S/C17H19N3O3S/c1-12-6-3-4-8-15(12)24(22,23)19-14-10-16(21)20(2)17(14)13-7-5-9-18-11-13/h3-9,11,14,17,19H,10H2,1-2H3/t14-,17+/m1/s1
InChIKeyCQIIFOIRPCMEHK-PBHICJAKSA-N
MW345.42 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide

2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide (PubChem CID 128977244) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide
PubChem CID128977244
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1
InChIInChI=1S/C17H19N3O3S/c1-12-6-3-4-8-15(12)24(22,23)19-14-10-16(21)20(2)17(14)13-7-5-9-18-11-13/h3-9,11,14,17,19H,10H2,1-2H3/t14-,17+/m1/s1
InChIKeyCQIIFOIRPCMEHK-PBHICJAKSA-N
XLogP1.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(4R,5S)-4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;hydroiodide
CID 167938842
(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
CID 167932575
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128987599
(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl)methyl methanesulfonate
CID 10334069
2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide
CID 138013868
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide
CID 128984722
(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CID 128976829

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide (CID 128977244) is 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1.
What is the InChIKey of 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is CQIIFOIRPCMEHK-PBHICJAKSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-6-3-4-8-15(12)24(22,23)19-14-10-16(21)20(2)17(14)13-7-5-9-18-11-13/h3-9,11,14,17,19H,10H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide?
2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 128977244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).