[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

C20H20N4O3S — CID 17412557

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3S/c25-20(18-15-21-22-19(18)16-7-3-1-4-8-16)23-11-13-24(14-12-23)28(26,27)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,22)
InChIKeyGFLLZRIDASUGGJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.22
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 17412557) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID17412557
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3S/c25-20(18-15-21-22-19(18)16-7-3-1-4-8-16)23-11-13-24(14-12-23)28(26,27)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,22)
InChIKeyGFLLZRIDASUGGJ-UHFFFAOYSA-N
XLogP2.22
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
CID 8889263
N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
1-(benzenesulfonyl)-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
CID 17406798
(4-(3-(3-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42626020
4-[4-(Hydrazinecarbonyl)-3-phenylpyrazol-1-yl]benzenesulfonamide
CID 76325548
8-(benzenesulfonyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4,8-triazacycloundecan-5-one
CID 110200910
1-(3-Phenyl-1H-pyrazole-5-carbonyl)-4-[4-(propan-2-YL)benzenesulfonyl]piperazine
CID 20864932
N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 162658317
3-(4-chlorophenyl)-N-[3-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 25995929
4-[(isobutylamino)sulfonyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 70740470
1-{[3-(3-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-3-phenylpiperazine hydrochloride
CID 70787219
N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 92557990

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone (CID 17412557) is [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is GFLLZRIDASUGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(18-15-21-22-19(18)16-7-3-1-4-8-16)23-11-13-24(14-12-23)28(26,27)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,22).
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 396.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 17412557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).