(2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid

C15H16FNO5S — CID 164641155

IUPAC(2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid
SMILESCc1c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)oc2ccc(F)cc12
InChIInChI=1S/C15H16FNO5S/c1-9-11-8-10(16)5-6-13(11)22-15(9)23(20,21)17-7-3-2-4-12(17)14(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyAVRFGOGHGLSVOO-LBPRGKRZSA-N
MW341.36 g/mol
LogP2.51
Rot. Bonds3

About (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid

(2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid (PubChem CID 164641155) has the molecular formula C15H16FNO5S and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid
PubChem CID164641155
Molecular FormulaC15H16FNO5S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name(2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid
SMILESCc1c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)oc2ccc(F)cc12
InChIInChI=1S/C15H16FNO5S/c1-9-11-8-10(16)5-6-13(11)22-15(9)23(20,21)17-7-3-2-4-12(17)14(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyAVRFGOGHGLSVOO-LBPRGKRZSA-N
XLogP2.51
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid (CID 164641155) is (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid is Cc1c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)oc2ccc(F)cc12.
What is the InChIKey of (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid?
The InChIKey is AVRFGOGHGLSVOO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FNO5S/c1-9-11-8-10(16)5-6-13(11)22-15(9)23(20,21)17-7-3-2-4-12(17)14(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid?
(2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 164641155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).