5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H14ClN3O2S — CID 53145365

IUPAC5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(Cc1cccc(Cl)c1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H14ClN3O2S/c14-11-3-1-2-10(6-11)8-20(18,19)17-5-4-12-13(7-17)16-9-15-12/h1-3,6,9H,4-5,7-8H2,(H,15,16)
InChIKeyNADBPGDXFGODNB-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.95
Rot. Bonds3

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

5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145365) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145365
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(Cc1cccc(Cl)c1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H14ClN3O2S/c14-11-3-1-2-10(6-11)8-20(18,19)17-5-4-12-13(7-17)16-9-15-12/h1-3,6,9H,4-5,7-8H2,(H,15,16)
InChIKeyNADBPGDXFGODNB-UHFFFAOYSA-N
XLogP1.95
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145365) is 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is O=S(=O)(Cc1cccc(Cl)c1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is NADBPGDXFGODNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-11-3-1-2-10(6-11)8-20(18,19)17-5-4-12-13(7-17)16-9-15-12/h1-3,6,9H,4-5,7-8H2,(H,15,16).
What are the key properties of 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 311.79 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylsulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).