N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C17H20N2O4S — CID 53284122

IUPACN-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCCCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c20-17-6-2-12-19(17)14-7-9-16(10-8-14)24(21,22)18-11-1-4-15-5-3-13-23-15/h3,5,7-10,13,18H,1-2,4,6,11-12H2
InChIKeyLGKMSGJMIKQCEL-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.32
Rot. Bonds7

About N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 53284122) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID53284122
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCCCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c20-17-6-2-12-19(17)14-7-9-16(10-8-14)24(21,22)18-11-1-4-15-5-3-13-23-15/h3,5,7-10,13,18H,1-2,4,6,11-12H2
InChIKeyLGKMSGJMIKQCEL-UHFFFAOYSA-N
XLogP2.32
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019455
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019456
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92685610
4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide
CID 110667633
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide
CID 53279766
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502099
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 53284122) is N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)NCCCc2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is LGKMSGJMIKQCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-17-6-2-12-19(17)14-7-9-16(10-8-14)24(21,22)18-11-1-4-15-5-3-13-23-15/h3,5,7-10,13,18H,1-2,4,6,11-12H2.
What are the key properties of N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 53284122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).