N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide

C20H16N4O3S — CID 52936847

IUPACN-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
InChIInChI=1S/C20H16N4O3S/c1-14(25)19-12-22-20-8-7-15(13-24(19)20)16-9-17(11-21-10-16)23-28(26,27)18-5-3-2-4-6-18/h2-13,23H,1H3
InChIKeyKQJRNDVRVWKVBC-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.40
Rot. Bonds5

About N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 52936847) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID52936847
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
InChIInChI=1S/C20H16N4O3S/c1-14(25)19-12-22-20-8-7-15(13-24(19)20)16-9-17(11-21-10-16)23-28(26,27)18-5-3-2-4-6-18/h2-13,23H,1H3
InChIKeyKQJRNDVRVWKVBC-UHFFFAOYSA-N
XLogP3.40
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 52936847) is N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is CC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12.
What is the InChIKey of N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is KQJRNDVRVWKVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-14(25)19-12-22-20-8-7-15(13-24(19)20)16-9-17(11-21-10-16)23-28(26,27)18-5-3-2-4-6-18/h2-13,23H,1H3.
What are the key properties of N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).