1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol

C12H15ClFNO3S — CID 115872362

IUPAC1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C12H15ClFNO3S/c1-12(16)5-2-6-15(8-12)19(17,18)11-4-3-9(14)7-10(11)13/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyBZZPFJBIYNCOKR-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol

1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol (PubChem CID 115872362) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
PubChem CID115872362
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C12H15ClFNO3S/c1-12(16)5-2-6-15(8-12)19(17,18)11-4-3-9(14)7-10(11)13/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyBZZPFJBIYNCOKR-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-4-methylpiperidin-4-ol
CID 81103524
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97239536
1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 105400409
1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871460
[(3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
CID 97140915
1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 75508944
3-chloro-4-(4-hydroxy-4-methylazepan-1-yl)sulfonylbenzonitrile
CID 107404572
4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 66083632
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]azepane
CID 86900548
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872336
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol (CID 115872362) is 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol is CC1(O)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol?
The InChIKey is BZZPFJBIYNCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-12(16)5-2-6-15(8-12)19(17,18)11-4-3-9(14)7-10(11)13/h3-4,7,16H,2,5-6,8H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol?
1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-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-3-methylpiperidin-3-ol is sourced from PubChem (CID 115872362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).