5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H13ClFN3O2S — CID 53145364

IUPAC5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(Cc1c(F)cccc1Cl)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H13ClFN3O2S/c14-10-2-1-3-11(15)9(10)7-21(19,20)18-5-4-12-13(6-18)17-8-16-12/h1-3,8H,4-7H2,(H,16,17)
InChIKeyPTPUQHJMGWMNQL-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.09
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145364) has the molecular formula C13H13ClFN3O2S and a molecular weight of 329.78 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145364
Molecular FormulaC13H13ClFN3O2S
Molecular Weight329.78 g/mol
Exact Mass329.04
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(Cc1c(F)cccc1Cl)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H13ClFN3O2S/c14-10-2-1-3-11(15)9(10)7-21(19,20)18-5-4-12-13(6-18)17-8-16-12/h1-3,8H,4-7H2,(H,16,17)
InChIKeyPTPUQHJMGWMNQL-UHFFFAOYSA-N
XLogP2.09
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145364) is 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is O=S(=O)(Cc1c(F)cccc1Cl)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PTPUQHJMGWMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S/c14-10-2-1-3-11(15)9(10)7-21(19,20)18-5-4-12-13(6-18)17-8-16-12/h1-3,8H,4-7H2,(H,16,17).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 329.78 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).