[4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol

C17H21N3O4S — CID 2539908

IUPAC[4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3ccc(CO)cc3)nc2)CC1
InChIInChI=1S/C17H21N3O4S/c1-19-8-10-20(11-9-19)25(22,23)16-6-7-17(18-12-16)24-15-4-2-14(13-21)3-5-15/h2-7,12,21H,8-11,13H2,1H3
InChIKeyOHCRPXALGGWSFI-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.30
Rot. Bonds5

About [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol

[4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol (PubChem CID 2539908) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol
PubChem CID2539908
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name[4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3ccc(CO)cc3)nc2)CC1
InChIInChI=1S/C17H21N3O4S/c1-19-8-10-20(11-9-19)25(22,23)16-6-7-17(18-12-16)24-15-4-2-14(13-21)3-5-15/h2-7,12,21H,8-11,13H2,1H3
InChIKeyOHCRPXALGGWSFI-UHFFFAOYSA-N
XLogP1.30
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol?
The IUPAC name of [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol (CID 2539908) is [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol.
What is the SMILES notation for [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol?
The canonical SMILES for [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol is CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(CO)cc3)nc2)CC1.
What is the InChIKey of [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol?
The InChIKey is OHCRPXALGGWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-19-8-10-20(11-9-19)25(22,23)16-6-7-17(18-12-16)24-15-4-2-14(13-21)3-5-15/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol?
[4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol has a molecular weight of 363.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]oxy]phenyl]methanol is sourced from PubChem (CID 2539908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).