2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine

C17H19Cl2NO4S2 — CID 59750907

IUPAC2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine
SMILESCS(=O)(=O)CCCCC(c1cccnc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO4S2/c1-25(21,22)12-3-2-6-16(15-5-4-11-20-17(15)19)26(23,24)14-9-7-13(18)8-10-14/h4-5,7-11,16H,2-3,6,12H2,1H3
InChIKeyAGZYDXLFDDTPKE-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.12
Rot. Bonds8

About 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine

2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine (PubChem CID 59750907) has the molecular formula C17H19Cl2NO4S2 and a molecular weight of 436.38 g/mol. Its IUPAC name is 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine
PubChem CID59750907
Molecular FormulaC17H19Cl2NO4S2
Molecular Weight436.38 g/mol
Exact Mass435.01
IUPAC Name2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine
SMILESCS(=O)(=O)CCCCC(c1cccnc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO4S2/c1-25(21,22)12-3-2-6-16(15-5-4-11-20-17(15)19)26(23,24)14-9-7-13(18)8-10-14/h4-5,7-11,16H,2-3,6,12H2,1H3
InChIKeyAGZYDXLFDDTPKE-UHFFFAOYSA-N
XLogP4.12
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol
CID 59750724
1-chloro-4-(5-methylsulfonyl-1-phenylpentyl)sulfonylbenzene
CID 23028576
2-[1-(4-chlorophenyl)sulfonyl-6-methylsulfonylhexyl]-1,4-difluorobenzene
CID 59750834
1-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]-3-methoxybenzene
CID 59750762
1,4-difluoro-2-[1-(4-methylphenyl)sulfonyl-5-methylsulfonylpentyl]benzene
CID 59750767
1,4-difluoro-2-[1-(3-methylphenyl)sulfonyl-5-methylsulfonylpentyl]benzene
CID 59750863
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154
2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
CID 59750846
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082597
(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile
CID 125491707
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145
(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine?
The IUPAC name of 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine (CID 59750907) is 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine.
What is the SMILES notation for 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine?
The canonical SMILES for 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine is CS(=O)(=O)CCCCC(c1cccnc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine?
The InChIKey is AGZYDXLFDDTPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO4S2/c1-25(21,22)12-3-2-6-16(15-5-4-11-20-17(15)19)26(23,24)14-9-7-13(18)8-10-14/h4-5,7-11,16H,2-3,6,12H2,1H3.
What are the key properties of 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine?
2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine has a molecular weight of 436.38 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine is sourced from PubChem (CID 59750907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).