3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol

C15H22ClNO3S — CID 59367770

IUPAC3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
SMILESCc1cccc(Cl)c1S(=O)(=O)N1CCCCC1CCCO
InChIInChI=1S/C15H22ClNO3S/c1-12-6-4-9-14(16)15(12)21(19,20)17-10-3-2-7-13(17)8-5-11-18/h4,6,9,13,18H,2-3,5,7-8,10-11H2,1H3
InChIKeyIKBLDWRQJLRFDR-UHFFFAOYSA-N
MW331.86 g/mol
LogP2.96
Rot. Bonds5

About 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol

3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol (PubChem CID 59367770) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
PubChem CID59367770
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
SMILESCc1cccc(Cl)c1S(=O)(=O)N1CCCCC1CCCO
InChIInChI=1S/C15H22ClNO3S/c1-12-6-4-9-14(16)15(12)21(19,20)17-10-3-2-7-13(17)8-5-11-18/h4,6,9,13,18H,2-3,5,7-8,10-11H2,1H3
InChIKeyIKBLDWRQJLRFDR-UHFFFAOYSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
1-(2-chloro-6-methylphenyl)sulfonylpiperidine-2-carbaldehyde
CID 59367764
1-[3-[(2R)-1-(2-chloro-6-methylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 46204353
1-[3-[1-(2-chloro-6-methylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 66754918
3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 107327086
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
3-[3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propylsulfonyl]-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 46202740
3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469145
3-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 103100200
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
CID 43574487
3-[1-(4-amino-2,6-difluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469509
2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
CID 104688760

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol (CID 59367770) is 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol is Cc1cccc(Cl)c1S(=O)(=O)N1CCCCC1CCCO.
What is the InChIKey of 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol?
The InChIKey is IKBLDWRQJLRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-12-6-4-9-14(16)15(12)21(19,20)17-10-3-2-7-13(17)8-5-11-18/h4,6,9,13,18H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol?
3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol has a molecular weight of 331.86 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol is sourced from PubChem (CID 59367770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).