2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C15H14ClNO3S — CID 514903

IUPAC2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCS(=O)(=O)c1cnc2c(c1)CCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C15H14ClNO3S/c1-21(18,19)13-8-11-4-7-14(20-15(11)17-9-13)10-2-5-12(16)6-3-10/h2-3,5-6,8-9,14H,4,7H2,1H3
InChIKeyPTCGDPJRBUOVKQ-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.20
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 514903) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID514903
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCS(=O)(=O)c1cnc2c(c1)CCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C15H14ClNO3S/c1-21(18,19)13-8-11-4-7-14(20-15(11)17-9-13)10-2-5-12(16)6-3-10/h2-3,5-6,8-9,14H,4,7H2,1H3
InChIKeyPTCGDPJRBUOVKQ-UHFFFAOYSA-N
XLogP3.20
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 514903) is 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is CS(=O)(=O)c1cnc2c(c1)CCC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is PTCGDPJRBUOVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-21(18,19)13-8-11-4-7-14(20-15(11)17-9-13)10-2-5-12(16)6-3-10/h2-3,5-6,8-9,14H,4,7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 323.80 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).