[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C16H18N4O3S — CID 168682606

IUPAC[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(Nc3ccccc3)nc2)C1
InChIInChI=1S/C16H18N4O3S/c17-24(22,23)11-12-8-16(21)20(10-12)14-6-7-15(18-9-14)19-13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2,(H,18,19)(H2,17,22,23)
InChIKeyICCBVRVBOMWQGU-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.47
Rot. Bonds5

About [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682606) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682606
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(Nc3ccccc3)nc2)C1
InChIInChI=1S/C16H18N4O3S/c17-24(22,23)11-12-8-16(21)20(10-12)14-6-7-15(18-9-14)19-13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2,(H,18,19)(H2,17,22,23)
InChIKeyICCBVRVBOMWQGU-UHFFFAOYSA-N
XLogP1.47
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(6-anilino-3-pyridinyl)pyrrolidin-2-one
CID 168700669
S-[[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668282
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682571
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677109
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
1-(4-anilinophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505585
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056

Frequently Asked Questions

What is the IUPAC name of [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682606) is [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ccc(Nc3ccccc3)nc2)C1.
What is the InChIKey of [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is ICCBVRVBOMWQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c17-24(22,23)11-12-8-16(21)20(10-12)14-6-7-15(18-9-14)19-13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2,(H,18,19)(H2,17,22,23).
What are the key properties of [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).