N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide

C13H14N4O3S — CID 60912388

IUPACN-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=C1CCCN1c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H14N4O3S/c18-13-2-1-7-17(13)11-5-3-10(4-6-11)16-21(19,20)12-8-14-15-9-12/h3-6,8-9,16H,1-2,7H2,(H,14,15)
InChIKeyBPMGGRANDMYPSA-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.34
Rot. Bonds4

About N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60912388) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID60912388
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=C1CCCN1c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H14N4O3S/c18-13-2-1-7-17(13)11-5-3-10(4-6-11)16-21(19,20)12-8-14-15-9-12/h3-6,8-9,16H,1-2,7H2,(H,14,15)
InChIKeyBPMGGRANDMYPSA-UHFFFAOYSA-N
XLogP1.34
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
CID 71806482
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid
CID 47076109
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide (CID 60912388) is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide is O=C1CCCN1c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is BPMGGRANDMYPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c18-13-2-1-7-17(13)11-5-3-10(4-6-11)16-21(19,20)12-8-14-15-9-12/h3-6,8-9,16H,1-2,7H2,(H,14,15).
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).