(3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol

C13H18ClNO3S — CID 103443446

IUPAC(3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)c2ncccc2Cl)C1
InChIInChI=1S/C13H18ClNO3S/c1-19(17,18)10-5-2-4-9(8-10)13(16)12-11(14)6-3-7-15-12/h3,6-7,9-10,13,16H,2,4-5,8H2,1H3
InChIKeyPMZPFDSEKZDXFV-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.37
Rot. Bonds3

About (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol

(3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 103443446) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID103443446
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name(3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)c2ncccc2Cl)C1
InChIInChI=1S/C13H18ClNO3S/c1-19(17,18)10-5-2-4-9(8-10)13(16)12-11(14)6-3-7-15-12/h3,6-7,9-10,13,16H,2,4-5,8H2,1H3
InChIKeyPMZPFDSEKZDXFV-UHFFFAOYSA-N
XLogP2.37
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol (CID 103443446) is (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol is CS(=O)(=O)C1CCCC(C(O)c2ncccc2Cl)C1.
What is the InChIKey of (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is PMZPFDSEKZDXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-19(17,18)10-5-2-4-9(8-10)13(16)12-11(14)6-3-7-15-12/h3,6-7,9-10,13,16H,2,4-5,8H2,1H3.
What are the key properties of (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol?
(3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 303.81 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 103443446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).