2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine

C24H23ClF2N2O2S — CID 23114800

IUPAC2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1ccc(CN2CCCCC2)cn1)c1cc(F)ccc1F
InChIInChI=1S/C24H23ClF2N2O2S/c25-18-5-8-20(9-6-18)32(30,31)24(21-14-19(26)7-10-22(21)27)23-11-4-17(15-28-23)16-29-12-2-1-3-13-29/h4-11,14-15,24H,1-3,12-13,16H2
InChIKeyQMWQVPKBSLKBLK-UHFFFAOYSA-N
MW476.98 g/mol
LogP5.56
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine (PubChem CID 23114800) has the molecular formula C24H23ClF2N2O2S and a molecular weight of 476.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine
PubChem CID23114800
Molecular FormulaC24H23ClF2N2O2S
Molecular Weight476.98 g/mol
Exact Mass476.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1ccc(CN2CCCCC2)cn1)c1cc(F)ccc1F
InChIInChI=1S/C24H23ClF2N2O2S/c25-18-5-8-20(9-6-18)32(30,31)24(21-14-19(26)7-10-22(21)27)23-11-4-17(15-28-23)16-29-12-2-1-3-13-29/h4-11,14-15,24H,1-3,12-13,16H2
InChIKeyQMWQVPKBSLKBLK-UHFFFAOYSA-N
XLogP5.56
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.98
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine 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

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
CID 23114561
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
CID 59750939
[6-[[(4-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanamine
CID 142260407
N-[2-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine-3-carbonyl]amino]ethyl]carbamate
CID 23114844
N-[2-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine-3-carbothioyl]amino]ethyl]carbamate
CID 23114568
1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine
CID 112804278
2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine
CID 142980749
N-(2-aminoethyl)-6-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]pyridine-3-carbothioamide
CID 142980731
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
CID 23114593
2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene
CID 59769784
4-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine (CID 23114800) is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine is O=S(=O)(c1ccc(Cl)cc1)C(c1ccc(CN2CCCCC2)cn1)c1cc(F)ccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine?
The InChIKey is QMWQVPKBSLKBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N2O2S/c25-18-5-8-20(9-6-18)32(30,31)24(21-14-19(26)7-10-22(21)27)23-11-4-17(15-28-23)16-29-12-2-1-3-13-29/h4-11,14-15,24H,1-3,12-13,16H2.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine?
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine has a molecular weight of 476.98 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine is sourced from PubChem (CID 23114800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).