2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride

C12H11ClF2N2O3S — CID 103000433

IUPAC2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride
SMILESCn1nccc1CCOc1ccc(S(=O)(=O)Cl)c(F)c1F
InChIInChI=1S/C12H11ClF2N2O3S/c1-17-8(4-6-16-17)5-7-20-9-2-3-10(21(13,18)19)12(15)11(9)14/h2-4,6H,5,7H2,1H3
InChIKeyBJRPBPAMINLJBK-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.25
Rot. Bonds5

About 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride

2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 103000433) has the molecular formula C12H11ClF2N2O3S and a molecular weight of 336.75 g/mol. Its IUPAC name is 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride
PubChem CID103000433
Molecular FormulaC12H11ClF2N2O3S
Molecular Weight336.75 g/mol
Exact Mass336.01
IUPAC Name2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride
SMILESCn1nccc1CCOc1ccc(S(=O)(=O)Cl)c(F)c1F
InChIInChI=1S/C12H11ClF2N2O3S/c1-17-8(4-6-16-17)5-7-20-9-2-3-10(21(13,18)19)12(15)11(9)14/h2-4,6H,5,7H2,1H3
InChIKeyBJRPBPAMINLJBK-UHFFFAOYSA-N
XLogP2.25
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride (CID 103000433) is 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride is Cn1nccc1CCOc1ccc(S(=O)(=O)Cl)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is BJRPBPAMINLJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O3S/c1-17-8(4-6-16-17)5-7-20-9-2-3-10(21(13,18)19)12(15)11(9)14/h2-4,6H,5,7H2,1H3.
What are the key properties of 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride?
2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 336.75 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 103000433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).