4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

C22H21N3O3S — CID 1249646

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C22H21N3O3S/c26-22-2-1-15-25(22)20-7-9-21(10-8-20)29(27,28)24-19-5-3-17(4-6-19)16-18-11-13-23-14-12-18/h3-14,24H,1-2,15-16H2
InChIKeyYIKANVZPYDKBGM-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.60
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 1249646) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
PubChem CID1249646
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C22H21N3O3S/c26-22-2-1-15-25(22)20-7-9-21(10-8-20)29(27,28)24-19-5-3-17(4-6-19)16-18-11-13-23-14-12-18/h3-14,24H,1-2,15-16H2
InChIKeyYIKANVZPYDKBGM-UHFFFAOYSA-N
XLogP3.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonamidopyrrolidinone 3e
CID 10671210
Sulfonamidopyrrolidinone 3f
CID 10765919
(1s,2s)-N-[4-(Phenylsulfonyl)phenyl]-2-(Pyridin-3-Yl)cyclopropanecarboxamide
CID 71720911
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
4-(4-{[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]sulfamoyl}phenyl)-1-methylpyridin-1-ium
CID 10555769
Sulfonamidopyrrolidinone 3d
CID 10742143
Sulfonamide deriv., 7h
CID 44520904
Sulfonamide deriv., 7i
CID 44520905
Piperazine moiety, 6
CID 57339813
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (CID 1249646) is 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is YIKANVZPYDKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-22-2-1-15-25(22)20-7-9-21(10-8-20)29(27,28)24-19-5-3-17(4-6-19)16-18-11-13-23-14-12-18/h3-14,24H,1-2,15-16H2.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 407.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1249646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).