1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide

C15H18N4O3S — CID 71806482

IUPAC1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)cc2)cn1
InChIInChI=1S/C15H18N4O3S/c1-18-11-14(10-16-18)23(21,22)17-12-5-7-13(8-6-12)19-9-3-2-4-15(19)20/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyZDKZYQUBRDFBES-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.74
Rot. Bonds4

About 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide

1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide (PubChem CID 71806482) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
PubChem CID71806482
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)cc2)cn1
InChIInChI=1S/C15H18N4O3S/c1-18-11-14(10-16-18)23(21,22)17-12-5-7-13(8-6-12)19-9-3-2-4-15(19)20/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyZDKZYQUBRDFBES-UHFFFAOYSA-N
XLogP1.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60912388
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
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
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100745693

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide (CID 71806482) is 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)cc2)cn1.
What is the InChIKey of 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is ZDKZYQUBRDFBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18-11-14(10-16-18)23(21,22)17-12-5-7-13(8-6-12)19-9-3-2-4-15(19)20/h5-8,10-11,17H,2-4,9H2,1H3.
What are the key properties of 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide?
1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71806482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).