4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol

C19H23NO5S — CID 86242091

IUPAC4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol
SMILESCOc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(C)cc3)CC2O)c1
InChIInChI=1S/C19H23NO5S/c1-14-6-8-17(9-7-14)26(23,24)20-11-10-19(22,18(21)13-20)15-4-3-5-16(12-15)25-2/h3-9,12,18,21-22H,10-11,13H2,1-2H3
InChIKeyNGVSSCCLPAHGHX-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.65
Rot. Bonds4

About 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol

4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol (PubChem CID 86242091) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol
PubChem CID86242091
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol
SMILESCOc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(C)cc3)CC2O)c1
InChIInChI=1S/C19H23NO5S/c1-14-6-8-17(9-7-14)26(23,24)20-11-10-19(22,18(21)13-20)15-4-3-5-16(12-15)25-2/h3-9,12,18,21-22H,10-11,13H2,1-2H3
InChIKeyNGVSSCCLPAHGHX-UHFFFAOYSA-N
XLogP1.65
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-3-amino-1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 102386042
8-methoxy-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 68627005
[(4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 135019799
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
5-[[4-hydroxy-4-(3-methoxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 46953530
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101387033
2-[4-ethenyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-methoxyphenol
CID 10949089
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
CID 163316787
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonyl chloride
CID 74935523
3-[(dimethylamino)methyl]-1-[[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]-4-(3-methoxyphenyl)piperidin-4-ol
CID 167321725

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol?
The IUPAC name of 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol (CID 86242091) is 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol?
The canonical SMILES for 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol is COc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(C)cc3)CC2O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol?
The InChIKey is NGVSSCCLPAHGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-14-6-8-17(9-7-14)26(23,24)20-11-10-19(22,18(21)13-20)15-4-3-5-16(12-15)25-2/h3-9,12,18,21-22H,10-11,13H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol?
4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol has a molecular weight of 377.46 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol is sourced from PubChem (CID 86242091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).