N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide

C22H24N4O3S — CID 55790604

IUPACN-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C22H24N4O3S/c1-17-16-21(23-26(17)19-8-4-2-5-9-19)22(27)25-14-12-18(13-15-25)24-30(28,29)20-10-6-3-7-11-20/h2-11,16,18,24H,12-15H2,1H3
InChIKeyJXGBXTFUUKDDEH-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 55790604) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID55790604
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C22H24N4O3S/c1-17-16-21(23-26(17)19-8-4-2-5-9-19)22(27)25-14-12-18(13-15-25)24-30(28,29)20-10-6-3-7-11-20/h2-11,16,18,24H,12-15H2,1H3
InChIKeyJXGBXTFUUKDDEH-UHFFFAOYSA-N
XLogP2.76
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 41470534
N-[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470718
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 119636938
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid
CID 166380691
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
(5-methyl-1-phenylpyrazol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55755585
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
4-fluoro-N-[1-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 60511625

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 55790604) is N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide is Cc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)nn1-c1ccccc1.
What is the InChIKey of N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is JXGBXTFUUKDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-17-16-21(23-26(17)19-8-4-2-5-9-19)22(27)25-14-12-18(13-15-25)24-30(28,29)20-10-6-3-7-11-20/h2-11,16,18,24H,12-15H2,1H3.
What are the key properties of N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 424.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55790604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).