[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone

C17H19NO4S — CID 5308923

IUPAC[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C17H19NO4S/c1-13-4-7-15(8-5-13)23(20,21)12-14-6-9-16(22-14)17(19)18-10-2-3-11-18/h4-9H,2-3,10-12H2,1H3
InChIKeyLOPHXISOMOWIQA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.80
Rot. Bonds4

About [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 5308923) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID5308923
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C17H19NO4S/c1-13-4-7-15(8-5-13)23(20,21)12-14-6-9-16(22-14)17(19)18-10-2-3-11-18/h4-9H,2-3,10-12H2,1H3
InChIKeyLOPHXISOMOWIQA-UHFFFAOYSA-N
XLogP2.80
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 5308923) is [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1.
What is the InChIKey of [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LOPHXISOMOWIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-4-7-15(8-5-13)23(20,21)12-14-6-9-16(22-14)17(19)18-10-2-3-11-18/h4-9H,2-3,10-12H2,1H3.
What are the key properties of [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 333.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 5308923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).