[1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol

C19H21ClFNO3S — CID 26397754

IUPAC[1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol
SMILESO=S(=O)(c1ccccc1Cl)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H21ClFNO3S/c20-17-6-1-2-7-18(17)26(24,25)22-10-8-19(14-23,9-11-22)13-15-4-3-5-16(21)12-15/h1-7,12,23H,8-11,13-14H2
InChIKeyGGFDQHCEQLMOPR-UHFFFAOYSA-N
MW397.90 g/mol
LogP3.48
Rot. Bonds5

About [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol

[1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol (PubChem CID 26397754) has the molecular formula C19H21ClFNO3S and a molecular weight of 397.90 g/mol. Its IUPAC name is [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol
PubChem CID26397754
Molecular FormulaC19H21ClFNO3S
Molecular Weight397.90 g/mol
Exact Mass397.09
IUPAC Name[1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol
SMILESO=S(=O)(c1ccccc1Cl)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H21ClFNO3S/c20-17-6-1-2-7-18(17)26(24,25)22-10-8-19(14-23,9-11-22)13-15-4-3-5-16(21)12-15/h1-7,12,23H,8-11,13-14H2
InChIKeyGGFDQHCEQLMOPR-UHFFFAOYSA-N
XLogP3.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol (CID 26397754) is [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol is O=S(=O)(c1ccccc1Cl)N1CCC(CO)(Cc2cccc(F)c2)CC1.
What is the InChIKey of [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is GGFDQHCEQLMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO3S/c20-17-6-1-2-7-18(17)26(24,25)22-10-8-19(14-23,9-11-22)13-15-4-3-5-16(21)12-15/h1-7,12,23H,8-11,13-14H2.
What are the key properties of [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol?
[1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 397.90 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 26397754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).