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

C13H14ClN3O2S — CID 53145352

IUPAC5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H14ClN3O2S/c1-9-10(14)3-2-4-13(9)20(18,19)17-6-5-11-12(7-17)16-8-15-11/h2-4,8H,5-7H2,1H3,(H,15,16)
InChIKeyGDBOWQJSOLPYNG-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.12
Rot. Bonds2

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

5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145352) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145352
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H14ClN3O2S/c1-9-10(14)3-2-4-13(9)20(18,19)17-6-5-11-12(7-17)16-8-15-11/h2-4,8H,5-7H2,1H3,(H,15,16)
InChIKeyGDBOWQJSOLPYNG-UHFFFAOYSA-N
XLogP2.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145352) is 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1c(Cl)cccc1S(=O)(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is GDBOWQJSOLPYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-10(14)3-2-4-13(9)20(18,19)17-6-5-11-12(7-17)16-8-15-11/h2-4,8H,5-7H2,1H3,(H,15,16).
What are the key properties of 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 311.79 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).