2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride

C12H7Cl4NO3S — CID 82912787

IUPAC2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccncc2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H7Cl4NO3S/c13-8-5-17-4-3-7(8)6-20-9-1-2-10(21(16,18)19)12(15)11(9)14/h1-5H,6H2
InChIKeyLAUORDBIMKTHER-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.55
Rot. Bonds4

About 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride

2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride (PubChem CID 82912787) has the molecular formula C12H7Cl4NO3S and a molecular weight of 387.07 g/mol. Its IUPAC name is 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride
PubChem CID82912787
Molecular FormulaC12H7Cl4NO3S
Molecular Weight387.07 g/mol
Exact Mass384.89
IUPAC Name2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccncc2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H7Cl4NO3S/c13-8-5-17-4-3-7(8)6-20-9-1-2-10(21(16,18)19)12(15)11(9)14/h1-5H,6H2
InChIKeyLAUORDBIMKTHER-UHFFFAOYSA-N
XLogP4.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride (CID 82912787) is 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2ccncc2Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride?
The InChIKey is LAUORDBIMKTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO3S/c13-8-5-17-4-3-7(8)6-20-9-1-2-10(21(16,18)19)12(15)11(9)14/h1-5H,6H2.
What are the key properties of 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride?
2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride has a molecular weight of 387.07 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82912787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).