N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide

C16H17N3O3S — CID 16822400

IUPACN-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESCc1ccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)cc1
InChIInChI=1S/C16H17N3O3S/c1-12-4-6-14(7-5-12)19-11-13(9-16(19)20)18-23(21,22)15-3-2-8-17-10-15/h2-8,10,13,18H,9,11H2,1H3
InChIKeyOHROCIMHVSPNJJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.47
Rot. Bonds4

About N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide

N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (PubChem CID 16822400) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
PubChem CID16822400
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESCc1ccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)cc1
InChIInChI=1S/C16H17N3O3S/c1-12-4-6-14(7-5-12)19-11-13(9-16(19)20)18-23(21,22)15-3-2-8-17-10-15/h2-8,10,13,18H,9,11H2,1H3
InChIKeyOHROCIMHVSPNJJ-UHFFFAOYSA-N
XLogP1.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535
2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564547
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
N-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyridine-3-sulfonamide
CID 126835110
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-[(3S,6S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyridine-3-sulfonamide
CID 130208950
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (CID 16822400) is N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is Cc1ccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is OHROCIMHVSPNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-12-4-6-14(7-5-12)19-11-13(9-16(19)20)18-23(21,22)15-3-2-8-17-10-15/h2-8,10,13,18H,9,11H2,1H3.
What are the key properties of N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 16822400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).