2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine

C18H19FN6O3S — CID 51493721

IUPAC2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1F
InChIInChI=1S/C18H19FN6O3S/c1-28-17-8-7-14(11-15(17)19)29(26,27)24-10-4-5-13(24)12-25-22-18(21-23-25)16-6-2-3-9-20-16/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m1/s1
InChIKeySFVBKJQLCWVONI-CYBMUJFWSA-N
MW418.45 g/mol
LogP1.74
Rot. Bonds6

About 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine

2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine (PubChem CID 51493721) has the molecular formula C18H19FN6O3S and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
PubChem CID51493721
Molecular FormulaC18H19FN6O3S
Molecular Weight418.45 g/mol
Exact Mass418.12
IUPAC Name2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1F
InChIInChI=1S/C18H19FN6O3S/c1-28-17-8-7-14(11-15(17)19)29(26,27)24-10-4-5-13(24)12-25-22-18(21-23-25)16-6-2-3-9-20-16/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m1/s1
InChIKeySFVBKJQLCWVONI-CYBMUJFWSA-N
XLogP1.74
TPSA103.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
CID 46956638
[1-(3-fluoro-4-methoxyphenyl)sulfonylazepan-2-yl]methanol
CID 116636614
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46445053
[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 91467228
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43431558
1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 92577777
2-(benzenesulfonylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90585734
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-2-methoxyaniline
CID 62886601
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 40920974
5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 107215310
2-[2-(methoxymethyl)tetrazol-5-yl]pyridine
CID 4915943
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060926

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine (CID 51493721) is 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine is COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1F.
What is the InChIKey of 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine?
The InChIKey is SFVBKJQLCWVONI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19FN6O3S/c1-28-17-8-7-14(11-15(17)19)29(26,27)24-10-4-5-13(24)12-25-22-18(21-23-25)16-6-2-3-9-20-16/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine?
2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine has a molecular weight of 418.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 51493721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).