4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide

C15H15N3O3S — CID 776658

IUPAC4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H15N3O3S/c19-15-4-2-10-18(15)13-5-7-14(8-6-13)22(20,21)17-12-3-1-9-16-11-12/h1,3,5-9,11,17H,2,4,10H2
InChIKeyOSEIPOPLODELIC-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.01
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 776658) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID776658
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H15N3O3S/c19-15-4-2-10-18(15)13-5-7-14(8-6-13)22(20,21)17-12-3-1-9-16-11-12/h1,3,5-9,11,17H,2,4,10H2
InChIKeyOSEIPOPLODELIC-UHFFFAOYSA-N
XLogP2.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-3-Pyridylbenzenesulfonamide
CID 339079
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7g
CID 44520903
Sulfonamide deriv., 7h
CID 44520904
N-{4-[(2-pyridylamino)sulfonyl]phenyl}propanamide
CID 725106
N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 2556847
2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide
CID 4878270
N-(2-{4-[(3-pyridinylamino)sulfonyl]phenyl}ethyl)acetamide
CID 269224
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide (CID 776658) is 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is OSEIPOPLODELIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15-4-2-10-18(15)13-5-7-14(8-6-13)22(20,21)17-12-3-1-9-16-11-12/h1,3,5-9,11,17H,2,4,10H2.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.01, 4 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-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 776658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).