4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol

C17H23N3O3S — CID 56901841

IUPAC4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
SMILESCn1cc(S(=O)(=O)N2CCCCC2CCc2ccc(O)cc2)cn1
InChIInChI=1S/C17H23N3O3S/c1-19-13-17(12-18-19)24(22,23)20-11-3-2-4-15(20)8-5-14-6-9-16(21)10-7-14/h6-7,9-10,12-13,15,21H,2-5,8,11H2,1H3
InChIKeyPRHYFDAUVILOSD-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.30
Rot. Bonds5

About 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol

4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol (PubChem CID 56901841) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
PubChem CID56901841
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
SMILESCn1cc(S(=O)(=O)N2CCCCC2CCc2ccc(O)cc2)cn1
InChIInChI=1S/C17H23N3O3S/c1-19-13-17(12-18-19)24(22,23)20-11-3-2-4-15(20)8-5-14-6-9-16(21)10-7-14/h6-7,9-10,12-13,15,21H,2-5,8,11H2,1H3
InChIKeyPRHYFDAUVILOSD-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol (CID 56901841) is 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol is Cn1cc(S(=O)(=O)N2CCCCC2CCc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol?
The InChIKey is PRHYFDAUVILOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-19-13-17(12-18-19)24(22,23)20-11-3-2-4-15(20)8-5-14-6-9-16(21)10-7-14/h6-7,9-10,12-13,15,21H,2-5,8,11H2,1H3.
What are the key properties of 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol?
4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol has a molecular weight of 349.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 56901841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).