N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide

C18H14ClN5O2S — CID 86268994

IUPACN-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14ClN5O2S/c1-27(25,26)23-17-7-2-12(10-21-17)18-22-15-8-9-20-11-16(15)24(18)14-5-3-13(19)4-6-14/h2-11H,1H3,(H,21,23)
InChIKeyLUACNOLYHQNVKS-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.51
Rot. Bonds4

About N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide

N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 86268994) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide
PubChem CID86268994
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC NameN-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14ClN5O2S/c1-27(25,26)23-17-7-2-12(10-21-17)18-22-15-8-9-20-11-16(15)24(18)14-5-3-13(19)4-6-14/h2-11H,1H3,(H,21,23)
InChIKeyLUACNOLYHQNVKS-UHFFFAOYSA-N
XLogP3.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide (CID 86268994) is N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is LUACNOLYHQNVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-27(25,26)23-17-7-2-12(10-21-17)18-22-15-8-9-20-11-16(15)24(18)14-5-3-13(19)4-6-14/h2-11H,1H3,(H,21,23).
What are the key properties of N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide?
N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 86268994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).