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

C12H15ClN2O4S — CID 47122991

IUPAC(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C12H15ClN2O4S/c1-20(18,19)15-6-4-14(5-7-15)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3
InChIKeyULHYBVAMDCFANA-UHFFFAOYSA-N
MW318.78 g/mol
LogP0.76
Rot. Bonds2

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

(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 47122991) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID47122991
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C12H15ClN2O4S/c1-20(18,19)15-6-4-14(5-7-15)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3
InChIKeyULHYBVAMDCFANA-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471
(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 18119578
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 80706680
(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404871
(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27163262
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55447068

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 47122991) is (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is ULHYBVAMDCFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c1-20(18,19)15-6-4-14(5-7-15)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 318.78 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 47122991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).