[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol

C12H15ClFNO3S — CID 43589685

IUPAC[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCCC(CO)C1
InChIInChI=1S/C12H15ClFNO3S/c13-10-4-1-5-11(12(10)14)19(17,18)15-6-2-3-9(7-15)8-16/h1,4-5,9,16H,2-3,6-8H2
InChIKeyIFVXMKFQLPTXBQ-UHFFFAOYSA-N
MW307.77 g/mol
LogP1.87
Rot. Bonds3

About [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol

[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43589685) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43589685
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCCC(CO)C1
InChIInChI=1S/C12H15ClFNO3S/c13-10-4-1-5-11(12(10)14)19(17,18)15-6-2-3-9(7-15)8-16/h1,4-5,9,16H,2-3,6-8H2
InChIKeyIFVXMKFQLPTXBQ-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727311
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
1-[1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263968
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987
2-[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310054
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969009
3-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine
CID 103089696
2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43428221
3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 55188405
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol (CID 43589685) is [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol is O=S(=O)(c1cccc(Cl)c1F)N1CCCC(CO)C1.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is IFVXMKFQLPTXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c13-10-4-1-5-11(12(10)14)19(17,18)15-6-2-3-9(7-15)8-16/h1,4-5,9,16H,2-3,6-8H2.
What are the key properties of [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 307.77 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43589685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).