1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol

C12H15ClFNO3S — CID 75508944

IUPAC1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C12H15ClFNO3S/c1-12(16)6-3-7-15(8-12)19(17,18)11-9(13)4-2-5-10(11)14/h2,4-5,16H,3,6-8H2,1H3
InChIKeyLCHDDQJLBIBPNN-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol

1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol (PubChem CID 75508944) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
PubChem CID75508944
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C12H15ClFNO3S/c1-12(16)6-3-7-15(8-12)19(17,18)11-9(13)4-2-5-10(11)14/h2,4-5,16H,3,6-8H2,1H3
InChIKeyLCHDDQJLBIBPNN-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
1-(2,6-dichlorophenyl)sulfonyl-4-(hydroxymethyl)azepan-4-ol
CID 56908943
1-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709783
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872336
2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 75508926
9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135255
2-fluoro-6-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 103871431
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
CID 113343869
1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 71874703
(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977309

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol (CID 75508944) is 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol is CC1(O)CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol?
The InChIKey is LCHDDQJLBIBPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-12(16)6-3-7-15(8-12)19(17,18)11-9(13)4-2-5-10(11)14/h2,4-5,16H,3,6-8H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol?
1-(2-chloro-6-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-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol is sourced from PubChem (CID 75508944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).