(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone

C18H20N2O4S — CID 51151956

IUPAC(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H20N2O4S/c21-17-9-5-4-8-16(17)18(22)19-10-12-20(13-11-19)25(23,24)14-15-6-2-1-3-7-15/h1-9,21H,10-14H2
InChIKeyWTZRKTBTSBFNKY-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.68
Rot. Bonds4

About (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone

(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 51151956) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID51151956
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H20N2O4S/c21-17-9-5-4-8-16(17)18(22)19-10-12-20(13-11-19)25(23,24)14-15-6-2-1-3-7-15/h1-9,21H,10-14H2
InChIKeyWTZRKTBTSBFNKY-UHFFFAOYSA-N
XLogP1.68
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminophenyl)-(4-benzylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119943877
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 110805281
5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120684796
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110365411
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9226953
N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 55522105
(4-benzylsulfonylpiperazin-1-yl)-(4,5-dichloro-6-methyl-3-pyridinyl)methanone
CID 71914403
(4-benzylsulfonylpiperazin-1-yl)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone
CID 9298842
(4-benzylsulfonylpiperazin-1-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 27757367
1-(4-benzylsulfonylpiperazin-1-yl)-2-ethylbutan-1-one
CID 78779180
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
(4-benzylsulfonylpiperazin-1-yl)-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 41079004

Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone (CID 51151956) is (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is WTZRKTBTSBFNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-17-9-5-4-8-16(17)18(22)19-10-12-20(13-11-19)25(23,24)14-15-6-2-1-3-7-15/h1-9,21H,10-14H2.
What are the key properties of (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone?
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 360.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 51151956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).