(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine

C12H14FN5O2S — CID 57164014

IUPAC(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C12H14FN5O2S/c13-9-4-6-10(7-5-9)21(19,20)18-8-2-1-3-11(18)12-14-16-17-15-12/h4-7,11H,1-3,8H2,(H,14,15,16,17)/t11-/m0/s1
InChIKeyZTJNYITXSAZYAV-NSHDSACASA-N
MW311.34 g/mol
LogP1.25
Rot. Bonds3

About (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine

(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine (PubChem CID 57164014) has the molecular formula C12H14FN5O2S and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine
PubChem CID57164014
Molecular FormulaC12H14FN5O2S
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C12H14FN5O2S/c13-9-4-6-10(7-5-9)21(19,20)18-8-2-1-3-11(18)12-14-16-17-15-12/h4-7,11H,1-3,8H2,(H,14,15,16,17)/t11-/m0/s1
InChIKeyZTJNYITXSAZYAV-NSHDSACASA-N
XLogP1.25
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2H-tetrazole
CID 22250448
2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole
CID 57193110
2-[3-(bromomethyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine
CID 68846672
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117
(2S)-1-(4-fluorophenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 92502804
7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834530
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110254506

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine (CID 57164014) is (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine is O=S(=O)(c1ccc(F)cc1)N1CCCC[C@H]1c1nn[nH]n1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine?
The InChIKey is ZTJNYITXSAZYAV-NSHDSACASA-N. The full InChI is InChI=1S/C12H14FN5O2S/c13-9-4-6-10(7-5-9)21(19,20)18-8-2-1-3-11(18)12-14-16-17-15-12/h4-7,11H,1-3,8H2,(H,14,15,16,17)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine?
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine has a molecular weight of 311.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 57164014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).