N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide

C15H18N4O3S — CID 126826583

IUPACN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide
SMILESCC1(C)CNC(=O)C1NS(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H18N4O3S/c1-15(2)10-16-14(20)13(15)18-23(21,22)12-8-17-19(9-12)11-6-4-3-5-7-11/h3-9,13,18H,10H2,1-2H3,(H,16,20)
InChIKeyIHFGGKWXVQSJOU-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.68
Rot. Bonds4

About N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide

N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 126826583) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide
PubChem CID126826583
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide
SMILESCC1(C)CNC(=O)C1NS(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H18N4O3S/c1-15(2)10-16-14(20)13(15)18-23(21,22)12-8-17-19(9-12)11-6-4-3-5-7-11/h3-9,13,18H,10H2,1-2H3,(H,16,20)
InChIKeyIHFGGKWXVQSJOU-UHFFFAOYSA-N
XLogP0.68
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
1-phenyl-N-[(1R,2R)-2-phenylcyclopropyl]pyrazole-4-sulfonamide
CID 95259394
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide
CID 136552437
N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide
CID 119986497
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-4-sulfonamide
CID 119987043
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779609
1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120716213
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 75426525
2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
CID 126826624
N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093676

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide (CID 126826583) is N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide is CC1(C)CNC(=O)C1NS(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is IHFGGKWXVQSJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-15(2)10-16-14(20)13(15)18-23(21,22)12-8-17-19(9-12)11-6-4-3-5-7-11/h3-9,13,18H,10H2,1-2H3,(H,16,20).
What are the key properties of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide?
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 126826583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).