4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide

C20H14FN7O2S — CID 122284170

IUPAC4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(F)c(-c2nn[nH]n2)c1
InChIInChI=1S/C20H14FN7O2S/c21-17-9-8-15(11-16(17)20-23-26-27-24-20)31(29,30)25-14-6-4-13(5-7-14)18-12-28-10-2-1-3-19(28)22-18/h1-12,25H,(H,23,24,26,27)
InChIKeyJKJAPOWOPNBCDO-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.12
Rot. Bonds5

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

4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 122284170) has the molecular formula C20H14FN7O2S and a molecular weight of 435.44 g/mol. Its IUPAC name is 4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID122284170
Molecular FormulaC20H14FN7O2S
Molecular Weight435.44 g/mol
Exact Mass435.09
IUPAC Name4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(F)c(-c2nn[nH]n2)c1
InChIInChI=1S/C20H14FN7O2S/c21-17-9-8-15(11-16(17)20-23-26-27-24-20)31(29,30)25-14-6-4-13(5-7-14)18-12-28-10-2-1-3-19(28)22-18/h1-12,25H,(H,23,24,26,27)
InChIKeyJKJAPOWOPNBCDO-UHFFFAOYSA-N
XLogP3.12
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284592
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzenesulfonamide
CID 695162
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 6494027
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414
4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122292201
2,4-difluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzenesulfonamide
CID 122284032
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 16717662
4-ethoxy-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbenzenesulfonamide
CID 122284141
4-fluoro-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122317339
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122296927
2-chloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzenesulfonamide
CID 122284029
3,3,3-trifluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propane-1-sulfonamide
CID 122284159

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide (CID 122284170) is 4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(F)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is JKJAPOWOPNBCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7O2S/c21-17-9-8-15(11-16(17)20-23-26-27-24-20)31(29,30)25-14-6-4-13(5-7-14)18-12-28-10-2-1-3-19(28)22-18/h1-12,25H,(H,23,24,26,27).
What are the key properties of 4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide?
4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 435.44 g/mol, XLogP of 3.12, 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-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122284170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).