1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol

C12H15ClFNO3S — CID 81103524

IUPAC1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C12H15ClFNO3S/c1-12(16)4-6-15(7-5-12)19(17,18)11-3-2-9(14)8-10(11)13/h2-3,8,16H,4-7H2,1H3
InChIKeyFZDQZDUCELWNCZ-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol

1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81103524) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81103524
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C12H15ClFNO3S/c1-12(16)4-6-15(7-5-12)19(17,18)11-3-2-9(14)8-10(11)13/h2-3,8,16H,4-7H2,1H3
InChIKeyFZDQZDUCELWNCZ-UHFFFAOYSA-N
XLogP2.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872362
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97239536
1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871460
4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 66083632
3-chloro-4-(4-hydroxy-4-methylazepan-1-yl)sulfonylbenzonitrile
CID 107404572
1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 105400409
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 107343719
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 103077595

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol (CID 81103524) is 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is FZDQZDUCELWNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-12(16)4-6-15(7-5-12)19(17,18)11-3-2-9(14)8-10(11)13/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 307.77 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).