[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol

C15H22ClNO3S — CID 107090902

IUPAC[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(CO)c(Cl)c2)C1
InChIInChI=1S/C15H22ClNO3S/c1-10-6-11(2)12(3)17(8-10)21(19,20)14-5-4-13(9-18)15(16)7-14/h4-5,7,10-12,18H,6,8-9H2,1-3H3
InChIKeyHJWAZMPPZXPNKS-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.89
Rot. Bonds3

About [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol

[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol (PubChem CID 107090902) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
PubChem CID107090902
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(CO)c(Cl)c2)C1
InChIInChI=1S/C15H22ClNO3S/c1-10-6-11(2)12(3)17(8-10)21(19,20)14-5-4-13(9-18)15(16)7-14/h4-5,7,10-12,18H,6,8-9H2,1-3H3
InChIKeyHJWAZMPPZXPNKS-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 114597642
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
CID 107090687
1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107650396
1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 114594596
3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591883
1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594707

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol (CID 107090902) is [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol is CC1CC(C)C(C)N(S(=O)(=O)c2ccc(CO)c(Cl)c2)C1.
What is the InChIKey of [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is HJWAZMPPZXPNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-10-6-11(2)12(3)17(8-10)21(19,20)14-5-4-13(9-18)15(16)7-14/h4-5,7,10-12,18H,6,8-9H2,1-3H3.
What are the key properties of [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol?
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 331.87 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 107090902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).