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

C15H14FN3O3S — CID 16822445

IUPACN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2cccnc2)CN1c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O3S/c16-11-3-5-13(6-4-11)19-10-12(8-15(19)20)18-23(21,22)14-2-1-7-17-9-14/h1-7,9,12,18H,8,10H2
InChIKeyPMHCAHGNVZJJHQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.30
Rot. Bonds4

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

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (PubChem CID 16822445) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
PubChem CID16822445
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2cccnc2)CN1c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O3S/c16-11-3-5-13(6-4-11)19-10-12(8-15(19)20)18-23(21,22)14-2-1-7-17-9-14/h1-7,9,12,18H,8,10H2
InChIKeyPMHCAHGNVZJJHQ-UHFFFAOYSA-N
XLogP1.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 676049
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2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide
CID 4878270
2-Acetylamino-N-[1-(4-acetylamino-benzenesulfonyl)-piperidin-4-yl]-3-(1-methyl-1H-pyrrol-2-yl)-propionamide
CID 644800
4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide
CID 776658
2-[(phenylsulfonyl)amino]-N-(2-pyridylmethyl)acetamide
CID 891903
N~2~-methyl-N~2~-(phenylsulfonyl)-N~1~-4-pyridinylglycinamide
CID 2219871
N-[4-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]phenyl]acetamide
CID 16251672
N1-(2-(1-((4-fluorophenyl)sulfonyl)piperidin-2-yl)ethyl)-N2-(pyridin-2-ylmethyl)oxalamide
CID 18574338
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 895512
N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methyl-N-(pyridin-2-ylmethyl)glycinamide
CID 1085411
N~2~-methyl-N~2~-(phenylsulfonyl)-N~1~-3-pyridinylglycinamide
CID 2219869

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (CID 16822445) is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is O=C1CC(NS(=O)(=O)c2cccnc2)CN1c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is PMHCAHGNVZJJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-11-3-5-13(6-4-11)19-10-12(8-15(19)20)18-23(21,22)14-2-1-7-17-9-14/h1-7,9,12,18H,8,10H2.
What are the key properties of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 16822445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).