[5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol

C15H22ClNO3S — CID 82879692

IUPAC[5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C15H22ClNO3S/c1-11-12(10-18)8-13(16)9-14(11)21(19,20)17-6-4-15(2,3)5-7-17/h8-9,18H,4-7,10H2,1-3H3
InChIKeyCCRCWMBNLWZPCB-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.95
Rot. Bonds3

About [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol

[5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol (PubChem CID 82879692) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol
PubChem CID82879692
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name[5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C15H22ClNO3S/c1-11-12(10-18)8-13(16)9-14(11)21(19,20)17-6-4-15(2,3)5-7-17/h8-9,18H,4-7,10H2,1-3H3
InChIKeyCCRCWMBNLWZPCB-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol?
The IUPAC name of [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol (CID 82879692) is [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol.
What is the SMILES notation for [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol?
The canonical SMILES for [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol is Cc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCC(C)(C)CC1.
What is the InChIKey of [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol?
The InChIKey is CCRCWMBNLWZPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-11-12(10-18)8-13(16)9-14(11)21(19,20)17-6-4-15(2,3)5-7-17/h8-9,18H,4-7,10H2,1-3H3.
What are the key properties of [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol?
[5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol has a molecular weight of 331.87 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol is sourced from PubChem (CID 82879692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).