(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C22H22N2O4S — CID 33240685

IUPAC(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(O)c1
InChIInChI=1S/C22H22N2O4S/c1-16-6-9-20(21(25)14-16)22(26)23-10-12-24(13-11-23)29(27,28)19-8-7-17-4-2-3-5-18(17)15-19/h2-9,14-15,25H,10-13H2,1H3
InChIKeyRNUFBHBSXHBKOC-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.00
Rot. Bonds3

About (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 33240685) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID33240685
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(O)c1
InChIInChI=1S/C22H22N2O4S/c1-16-6-9-20(21(25)14-16)22(26)23-10-12-24(13-11-23)29(27,28)19-8-7-17-4-2-3-5-18(17)15-19/h2-9,14-15,25H,10-13H2,1H3
InChIKeyRNUFBHBSXHBKOC-UHFFFAOYSA-N
XLogP3.00
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 7535266
(2-hydroxy-4-methylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 34231889
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 55359518
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471
(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 60527755
(6-methyl-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148430
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-(2,3,4,5-tetrafluorophenyl)methanone
CID 2127586
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
(2-chloro-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9495925
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 8924723

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 33240685) is (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RNUFBHBSXHBKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-6-9-20(21(25)14-16)22(26)23-10-12-24(13-11-23)29(27,28)19-8-7-17-4-2-3-5-18(17)15-19/h2-9,14-15,25H,10-13H2,1H3.
What are the key properties of (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 410.50 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 33240685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).