[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C21H21BrN4O3S — CID 17445214

IUPAC[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)ccc1Br
InChIInChI=1S/C21H21BrN4O3S/c1-16-15-19(7-8-20(16)22)30(28,29)25-13-11-24(12-14-25)21(27)17-3-5-18(6-4-17)26-10-2-9-23-26/h2-10,15H,11-14H2,1H3
InChIKeyWWZZPLXJCGEBHB-UHFFFAOYSA-N
MW489.40 g/mol
LogP3.09
Rot. Bonds4

About [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 17445214) has the molecular formula C21H21BrN4O3S and a molecular weight of 489.40 g/mol. Its IUPAC name is [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID17445214
Molecular FormulaC21H21BrN4O3S
Molecular Weight489.40 g/mol
Exact Mass488.05
IUPAC Name[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)ccc1Br
InChIInChI=1S/C21H21BrN4O3S/c1-16-15-19(7-8-20(16)22)30(28,29)25-13-11-24(12-14-25)21(27)17-3-5-18(6-4-17)26-10-2-9-23-26/h2-10,15H,11-14H2,1H3
InChIKeyWWZZPLXJCGEBHB-UHFFFAOYSA-N
XLogP3.09
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 24680723
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(3-chlorophenyl)methanone
CID 26905522
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 31927908
ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 45491519
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
ethyl 4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 26947788
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17425720
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 8699978
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 20914787

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 17445214) is [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)ccc1Br.
What is the InChIKey of [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is WWZZPLXJCGEBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O3S/c1-16-15-19(7-8-20(16)22)30(28,29)25-13-11-24(12-14-25)21(27)17-3-5-18(6-4-17)26-10-2-9-23-26/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 489.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 17445214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).