cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

C20H22N2O3S — CID 110412122

IUPACcyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)C1CC1
InChIInChI=1S/C20H22N2O3S/c23-20(16-6-7-16)17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-4-2-1-3-5-18/h1-5,8-11,16H,6-7,12-15H2
InChIKeyOZOYDIOSCPAGGR-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.79
Rot. Bonds5

About cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone (PubChem CID 110412122) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
PubChem CID110412122
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Namecyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)C1CC1
InChIInChI=1S/C20H22N2O3S/c23-20(16-6-7-16)17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-4-2-1-3-5-18/h1-5,8-11,16H,6-7,12-15H2
InChIKeyOZOYDIOSCPAGGR-UHFFFAOYSA-N
XLogP2.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
CID 82165047
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 3192476
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
[4-(benzenesulfonyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347167
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone (CID 110412122) is cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone is O=C(c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The InChIKey is OZOYDIOSCPAGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(16-6-7-16)17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-4-2-1-3-5-18/h1-5,8-11,16H,6-7,12-15H2.
What are the key properties of cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone has a molecular weight of 370.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 110412122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).