N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide

C14H16N4O3S — CID 131935929

IUPACN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2cn[nH]c2)CN1c1ccccc1
InChIInChI=1S/C14H16N4O3S/c19-14-6-11(10-18(14)12-4-2-1-3-5-12)7-17-22(20,21)13-8-15-16-9-13/h1-5,8-9,11,17H,6-7,10H2,(H,15,16)
InChIKeyPXRRWKCZWHJCBH-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.74
Rot. Bonds5

About N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide

N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 131935929) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID131935929
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2cn[nH]c2)CN1c1ccccc1
InChIInChI=1S/C14H16N4O3S/c19-14-6-11(10-18(14)12-4-2-1-3-5-12)7-17-22(20,21)13-8-15-16-9-13/h1-5,8-9,11,17H,6-7,10H2,(H,15,16)
InChIKeyPXRRWKCZWHJCBH-UHFFFAOYSA-N
XLogP0.74
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271
4-methoxy-3-methyl-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911748
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110413537
2,5-dimethyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911833
2,4-difluoro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 16919575
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide
CID 16919583
2-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912170
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 131935929) is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide is O=C1CC(CNS(=O)(=O)c2cn[nH]c2)CN1c1ccccc1.
What is the InChIKey of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PXRRWKCZWHJCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c19-14-6-11(10-18(14)12-4-2-1-3-5-12)7-17-22(20,21)13-8-15-16-9-13/h1-5,8-9,11,17H,6-7,10H2,(H,15,16).
What are the key properties of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131935929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).