6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile

C19H15ClN4O2S2 — CID 133426254

IUPAC6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile
SMILESN#Cc1cc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN4O2S2/c20-14-3-5-17-16(10-14)13(11-21)9-19(23-17)27-18-6-4-15(12-22-18)28(25,26)24-7-1-2-8-24/h3-6,9-10,12H,1-2,7-8H2
InChIKeyUSARMZYICJVKOY-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.09
Rot. Bonds4

About 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile

6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile (PubChem CID 133426254) has the molecular formula C19H15ClN4O2S2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile
PubChem CID133426254
Molecular FormulaC19H15ClN4O2S2
Molecular Weight430.94 g/mol
Exact Mass430.03
IUPAC Name6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile
SMILESN#Cc1cc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN4O2S2/c20-14-3-5-17-16(10-14)13(11-21)9-19(23-17)27-18-6-4-15(12-22-18)28(25,26)24-7-1-2-8-24/h3-6,9-10,12H,1-2,7-8H2
InChIKeyUSARMZYICJVKOY-UHFFFAOYSA-N
XLogP4.09
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile with MolForge

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Related Compounds

(2S)-1-(3-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38969397
(2R)-1-(4-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38976733
2-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7603003
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 27977159
N-(2,5-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46815261
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 32681682
1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
CID 17480565
N-(3-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779532
8-nitro-5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]isoquinoline
CID 55378004
N-(4-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117204

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile (CID 133426254) is 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile is N#Cc1cc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile?
The InChIKey is USARMZYICJVKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S2/c20-14-3-5-17-16(10-14)13(11-21)9-19(23-17)27-18-6-4-15(12-22-18)28(25,26)24-7-1-2-8-24/h3-6,9-10,12H,1-2,7-8H2.
What are the key properties of 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile?
6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile has a molecular weight of 430.94 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]quinoline-4-carbonitrile is sourced from PubChem (CID 133426254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).