(2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone

C23H30N2O5S — CID 27796766

IUPAC(2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c(O)c1
InChIInChI=1S/C23H30N2O5S/c1-14-15(2)17(4)22(18(5)16(14)3)31(28,29)25-11-9-24(10-12-25)23(27)20-8-7-19(30-6)13-21(20)26/h7-8,13,26H,9-12H2,1-6H3
InChIKeyMLWONUYINYUXPC-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.09
Rot. Bonds4

About (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone

(2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 27796766) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID27796766
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name(2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c(O)c1
InChIInChI=1S/C23H30N2O5S/c1-14-15(2)17(4)22(18(5)16(14)3)31(28,29)25-11-9-24(10-12-25)23(27)20-8-7-19(30-6)13-21(20)26/h7-8,13,26H,9-12H2,1-6H3
InChIKeyMLWONUYINYUXPC-UHFFFAOYSA-N
XLogP3.09
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(2-hydroxy-4-methylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 34231889
[2-(methoxymethyl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 52577913
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398097
(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711808
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 63308508
(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63619887
4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
(2-fluoro-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55653073
(4-ethyl-4-methylpiperidin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 62728608
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 27796766) is (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MLWONUYINYUXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-14-15(2)17(4)22(18(5)16(14)3)31(28,29)25-11-9-24(10-12-25)23(27)20-8-7-19(30-6)13-21(20)26/h7-8,13,26H,9-12H2,1-6H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
(2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 446.57 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 27796766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).