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

C12H11ClFN3O2S — CID 53145355

IUPAC5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H11ClFN3O2S/c13-9-5-8(1-2-10(9)14)20(18,19)17-4-3-11-12(6-17)16-7-15-11/h1-2,5,7H,3-4,6H2,(H,15,16)
InChIKeyKJERNHSQVNMFIQ-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.95
Rot. Bonds2

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

5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145355) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145355
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H11ClFN3O2S/c13-9-5-8(1-2-10(9)14)20(18,19)17-4-3-11-12(6-17)16-7-15-11/h1-2,5,7H,3-4,6H2,(H,15,16)
InChIKeyKJERNHSQVNMFIQ-UHFFFAOYSA-N
XLogP1.95
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
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-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145355) is 5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is KJERNHSQVNMFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c13-9-5-8(1-2-10(9)14)20(18,19)17-4-3-11-12(6-17)16-7-15-11/h1-2,5,7H,3-4,6H2,(H,15,16).
What are the key properties of 5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 315.76 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).