4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C16H20N4O3S — CID 3164045

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H20N4O3S/c1-11-16(12(2)19(3)17-11)18-24(22,23)14-8-6-13(7-9-14)20-10-4-5-15(20)21/h6-9,18H,4-5,10H2,1-3H3
InChIKeyPGSDZYXDDKPBLP-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.96
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3164045) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3164045
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H20N4O3S/c1-11-16(12(2)19(3)17-11)18-24(22,23)14-8-6-13(7-9-14)20-10-4-5-15(20)21/h6-9,18H,4-5,10H2,1-3H3
InChIKeyPGSDZYXDDKPBLP-UHFFFAOYSA-N
XLogP1.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19614551
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3164045) is 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is PGSDZYXDDKPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-16(12(2)19(3)17-11)18-24(22,23)14-8-6-13(7-9-14)20-10-4-5-15(20)21/h6-9,18H,4-5,10H2,1-3H3.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.96, 4 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-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3164045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).