(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone

C18H20N2O4S — CID 51252114

IUPAC(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)20-13-11-19(12-14-20)18(21)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyDOJVRUDSDJPMKS-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.20
Rot. Bonds4

About (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone

(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone (PubChem CID 51252114) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
PubChem CID51252114
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)20-13-11-19(12-14-20)18(21)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyDOJVRUDSDJPMKS-UHFFFAOYSA-N
XLogP2.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 175091556
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
CID 91784088
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90584913
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
CID 70716556

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone (CID 51252114) is (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone is CS(=O)(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone?
The InChIKey is DOJVRUDSDJPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(22,23)20-13-11-19(12-14-20)18(21)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone has a molecular weight of 360.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 51252114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).