4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide

C21H16FN7O2S — CID 122284592

IUPAC4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc(F)c(-c5nn[nH]n5)c4)cc3)nc12
InChIInChI=1S/C21H16FN7O2S/c1-13-3-2-10-29-12-19(23-21(13)29)14-4-6-15(7-5-14)26-32(30,31)16-8-9-18(22)17(11-16)20-24-27-28-25-20/h2-12,26H,1H3,(H,24,25,27,28)
InChIKeyLQCUFXPZFSRIEL-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.43
Rot. Bonds5

About 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide

4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 122284592) has the molecular formula C21H16FN7O2S and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID122284592
Molecular FormulaC21H16FN7O2S
Molecular Weight449.47 g/mol
Exact Mass449.11
IUPAC Name4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc(F)c(-c5nn[nH]n5)c4)cc3)nc12
InChIInChI=1S/C21H16FN7O2S/c1-13-3-2-10-29-12-19(23-21(13)29)14-4-6-15(7-5-14)26-32(30,31)16-8-9-18(22)17(11-16)20-24-27-28-25-20/h2-12,26H,1H3,(H,24,25,27,28)
InChIKeyLQCUFXPZFSRIEL-UHFFFAOYSA-N
XLogP3.43
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284170
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122284597
1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122284552
4-fluoro-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122317339
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzenesulfonamide
CID 25038187
3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 122284562
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122296927
4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122292201
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 122284540
3-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 4232154
1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122284580

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide (CID 122284592) is 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc(F)c(-c5nn[nH]n5)c4)cc3)nc12.
What is the InChIKey of 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is LQCUFXPZFSRIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7O2S/c1-13-3-2-10-29-12-19(23-21(13)29)14-4-6-15(7-5-14)26-32(30,31)16-8-9-18(22)17(11-16)20-24-27-28-25-20/h2-12,26H,1H3,(H,24,25,27,28).
What are the key properties of 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide?
4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 449.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122284592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).