4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide

C18H24N4O3S — CID 19614568

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide
SMILESCCC(CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)n1cccn1
InChIInChI=1S/C18H24N4O3S/c1-2-15(22-14-4-11-19-22)10-12-20-26(24,25)17-8-6-16(7-9-17)21-13-3-5-18(21)23/h4,6-9,11,14-15,20H,2-3,5,10,12-13H2,1H3
InChIKeyXCYUUJYNFUBMLX-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.33
Rot. Bonds8

About 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide (PubChem CID 19614568) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide
PubChem CID19614568
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide
SMILESCCC(CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)n1cccn1
InChIInChI=1S/C18H24N4O3S/c1-2-15(22-14-4-11-19-22)10-12-20-26(24,25)17-8-6-16(7-9-17)21-13-3-5-18(21)23/h4,6-9,11,14-15,20H,2-3,5,10,12-13H2,1H3
InChIKeyXCYUUJYNFUBMLX-UHFFFAOYSA-N
XLogP2.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
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
N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51853447
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide (CID 19614568) is 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide is CCC(CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)n1cccn1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide?
The InChIKey is XCYUUJYNFUBMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-2-15(22-14-4-11-19-22)10-12-20-26(24,25)17-8-6-16(7-9-17)21-13-3-5-18(21)23/h4,6-9,11,14-15,20H,2-3,5,10,12-13H2,1H3.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-(3-pyrazol-1-ylpentyl)benzenesulfonamide is sourced from PubChem (CID 19614568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).