4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride

C12H7Cl2F2NO3S — CID 82912389

IUPAC4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCc2ccncc2Cl)c(F)c1
InChIInChI=1S/C12H7Cl2F2NO3S/c13-9-5-17-2-1-7(9)6-20-12-10(15)3-8(4-11(12)16)21(14,18)19/h1-5H,6H2
InChIKeyLBDQIKYCXUNTRR-UHFFFAOYSA-N
MW354.16 g/mol
LogP3.52
Rot. Bonds4

About 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride

4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride (PubChem CID 82912389) has the molecular formula C12H7Cl2F2NO3S and a molecular weight of 354.16 g/mol. Its IUPAC name is 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
PubChem CID82912389
Molecular FormulaC12H7Cl2F2NO3S
Molecular Weight354.16 g/mol
Exact Mass352.95
IUPAC Name4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCc2ccncc2Cl)c(F)c1
InChIInChI=1S/C12H7Cl2F2NO3S/c13-9-5-17-2-1-7(9)6-20-12-10(15)3-8(4-11(12)16)21(14,18)19/h1-5H,6H2
InChIKeyLBDQIKYCXUNTRR-UHFFFAOYSA-N
XLogP3.52
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride (CID 82912389) is 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)c(OCc2ccncc2Cl)c(F)c1.
What is the InChIKey of 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is LBDQIKYCXUNTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO3S/c13-9-5-17-2-1-7(9)6-20-12-10(15)3-8(4-11(12)16)21(14,18)19/h1-5H,6H2.
What are the key properties of 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride has a molecular weight of 354.16 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 82912389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).