2,4-dipyridin-4-ylbenzenesulfonyl chloride

C16H11ClN2O2S — CID 46316400

IUPAC2,4-dipyridin-4-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C16H11ClN2O2S/c17-22(20,21)16-2-1-14(12-3-7-18-8-4-12)11-15(16)13-5-9-19-10-6-13/h1-11H
InChIKeySHGQPVMTRNUBQT-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.74
Rot. Bonds3

About 2,4-dipyridin-4-ylbenzenesulfonyl chloride

2,4-dipyridin-4-ylbenzenesulfonyl chloride (PubChem CID 46316400) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is 2,4-dipyridin-4-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dipyridin-4-ylbenzenesulfonyl chloride
PubChem CID46316400
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name2,4-dipyridin-4-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C16H11ClN2O2S/c17-22(20,21)16-2-1-14(12-3-7-18-8-4-12)11-15(16)13-5-9-19-10-6-13/h1-11H
InChIKeySHGQPVMTRNUBQT-UHFFFAOYSA-N
XLogP3.74
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-nitro-2-pyridin-4-ylbenzenesulfonamide
CID 175942276
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824
4-[4-(4-pyridin-4-ylphenyl)sulfonylphenyl]pyridine
CID 155923380
2,4,6-tripyridin-4-ylphenol
CID 141364180
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
2-fluoro-4-phenylbenzenesulfonyl chloride
CID 46314814
methyl 2,4-dipyridin-4-ylbenzoate
CID 46317525
3,5-dipyridin-4-ylpyridine-2-carbaldehyde
CID 131869593
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
gold;4-pyridin-4-ylpyridine
CID 159917709
3,5-dipyridin-4-yl-1H-pyridin-2-one
CID 46316548
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-4-ylbenzenesulfonyl chloride?
The IUPAC name of 2,4-dipyridin-4-ylbenzenesulfonyl chloride (CID 46316400) is 2,4-dipyridin-4-ylbenzenesulfonyl chloride.
What is the SMILES notation for 2,4-dipyridin-4-ylbenzenesulfonyl chloride?
The canonical SMILES for 2,4-dipyridin-4-ylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccncc2)cc1-c1ccncc1.
What is the InChIKey of 2,4-dipyridin-4-ylbenzenesulfonyl chloride?
The InChIKey is SHGQPVMTRNUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c17-22(20,21)16-2-1-14(12-3-7-18-8-4-12)11-15(16)13-5-9-19-10-6-13/h1-11H.
What are the key properties of 2,4-dipyridin-4-ylbenzenesulfonyl chloride?
2,4-dipyridin-4-ylbenzenesulfonyl chloride has a molecular weight of 330.80 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyridin-4-ylbenzenesulfonyl chloride is sourced from PubChem (CID 46316400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).