[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone

C20H20N4O3S — CID 38820717

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3S/c25-20(19-11-12-24(21-19)17-7-3-1-4-8-17)22-13-15-23(16-14-22)28(26,27)18-9-5-2-6-10-18/h1-12H,13-16H2
InChIKeyLAPBWKOIWPOSOT-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.02
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone (PubChem CID 38820717) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone
PubChem CID38820717
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3S/c25-20(19-11-12-24(21-19)17-7-3-1-4-8-17)22-13-15-23(16-14-22)28(26,27)18-9-5-2-6-10-18/h1-12H,13-16H2
InChIKeyLAPBWKOIWPOSOT-UHFFFAOYSA-N
XLogP2.02
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone
CID 51100591
2-[3-[4-(benzenesulfonyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19504338
[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 27509869
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
CID 55668651
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 39928572
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 55667246
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 17428329
6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3823732
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 2225542

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone (CID 38820717) is [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone is O=C(c1ccn(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is LAPBWKOIWPOSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(19-11-12-24(21-19)17-7-3-1-4-8-17)22-13-15-23(16-14-22)28(26,27)18-9-5-2-6-10-18/h1-12H,13-16H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 396.47 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 38820717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).