4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide

C21H18FN3O2S — CID 9114448

IUPAC4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide
SMILESCc1cccn2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C21H18FN3O2S/c1-16-6-5-13-24-14-18(23-21(16)24)15-25(19-7-3-2-4-8-19)28(26,27)20-11-9-17(22)10-12-20/h2-14H,15H2,1H3
InChIKeyPHKZOPWKXVUQRW-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.18
Rot. Bonds5

About 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide

4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide (PubChem CID 9114448) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide
PubChem CID9114448
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide
SMILESCc1cccn2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C21H18FN3O2S/c1-16-6-5-13-24-14-18(23-21(16)24)15-25(19-7-3-2-4-8-19)28(26,27)20-11-9-17(22)10-12-20/h2-14H,15H2,1H3
InChIKeyPHKZOPWKXVUQRW-UHFFFAOYSA-N
XLogP4.18
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide (CID 9114448) is 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide is Cc1cccn2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide?
The InChIKey is PHKZOPWKXVUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-16-6-5-13-24-14-18(23-21(16)24)15-25(19-7-3-2-4-8-19)28(26,27)20-11-9-17(22)10-12-20/h2-14H,15H2,1H3.
What are the key properties of 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide?
4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 9114448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).