2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine

C16H16ClFN2O2S2 — CID 7594028

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(SCc2c(F)cccc2Cl)nc1)N1CCCC1
InChIInChI=1S/C16H16ClFN2O2S2/c17-14-4-3-5-15(18)13(14)11-23-16-7-6-12(10-19-16)24(21,22)20-8-1-2-9-20/h3-7,10H,1-2,8-9,11H2
InChIKeyXOHPNRGIIJDJEG-UHFFFAOYSA-N
MW386.90 g/mol
LogP3.95
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 7594028) has the molecular formula C16H16ClFN2O2S2 and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
PubChem CID7594028
Molecular FormulaC16H16ClFN2O2S2
Molecular Weight386.90 g/mol
Exact Mass386.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(SCc2c(F)cccc2Cl)nc1)N1CCCC1
InChIInChI=1S/C16H16ClFN2O2S2/c17-14-4-3-5-15(18)13(14)11-23-16-7-6-12(10-19-16)24(21,22)20-8-1-2-9-20/h3-7,10H,1-2,8-9,11H2
InChIKeyXOHPNRGIIJDJEG-UHFFFAOYSA-N
XLogP3.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine 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

1-[[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 7778954
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779570
2-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7603003
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7561735
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 27977159
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
2-[(3-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 27585815
2-(2-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 33464198

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine (CID 7594028) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(SCc2c(F)cccc2Cl)nc1)N1CCCC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is XOHPNRGIIJDJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2S2/c17-14-4-3-5-15(18)13(14)11-23-16-7-6-12(10-19-16)24(21,22)20-8-1-2-9-20/h3-7,10H,1-2,8-9,11H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 386.90 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 7594028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).