[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol

C14H20ClNO3S — CID 107090598

IUPAC[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-10-4-3-5-11(2)16(10)20(18,19)13-7-6-12(9-17)14(15)8-13/h6-8,10-11,17H,3-5,9H2,1-2H3
InChIKeyYXKJDNSFDMZNEW-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.78
Rot. Bonds3

About [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol

[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol (PubChem CID 107090598) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
PubChem CID107090598
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-10-4-3-5-11(2)16(10)20(18,19)13-7-6-12(9-17)14(15)8-13/h6-8,10-11,17H,3-5,9H2,1-2H3
InChIKeyYXKJDNSFDMZNEW-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoic acid
CID 30053258
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579
[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
CID 107090687
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
CID 104969055
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 7573828
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanethioamide
CID 104967500
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol (CID 107090598) is [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol is CC1CCCC(C)N1S(=O)(=O)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is YXKJDNSFDMZNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-4-3-5-11(2)16(10)20(18,19)13-7-6-12(9-17)14(15)8-13/h6-8,10-11,17H,3-5,9H2,1-2H3.
What are the key properties of [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol?
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 317.84 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 107090598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).