(4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone

C18H19ClN2O4S — CID 8900547

IUPAC(4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H19ClN2O4S/c19-15-6-7-17(22)16(12-15)18(23)20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2
InChIKeyLCDYWQZNLLCSSV-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.33
Rot. Bonds4

About (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone

(4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone (PubChem CID 8900547) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
PubChem CID8900547
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name(4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H19ClN2O4S/c19-15-6-7-17(22)16(12-15)18(23)20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2
InChIKeyLCDYWQZNLLCSSV-UHFFFAOYSA-N
XLogP2.33
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone?
The IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone (CID 8900547) is (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone is O=C(c1cc(Cl)ccc1O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone?
The InChIKey is LCDYWQZNLLCSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-15-6-7-17(22)16(12-15)18(23)20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2.
What are the key properties of (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone?
(4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone has a molecular weight of 394.88 g/mol, XLogP of 2.33, 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)-(5-chloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 8900547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).