3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride

C12H14ClF2NO3S — CID 82921679

IUPAC3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(F)c1OCCN1CCCC1
InChIInChI=1S/C12H14ClF2NO3S/c13-20(17,18)11-8-9(14)7-10(15)12(11)19-6-5-16-3-1-2-4-16/h7-8H,1-6H2
InChIKeyTZLZMYURAJLHOL-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.37
Rot. Bonds5

About 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride

3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride (PubChem CID 82921679) has the molecular formula C12H14ClF2NO3S and a molecular weight of 325.76 g/mol. Its IUPAC name is 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
PubChem CID82921679
Molecular FormulaC12H14ClF2NO3S
Molecular Weight325.76 g/mol
Exact Mass325.04
IUPAC Name3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(F)c1OCCN1CCCC1
InChIInChI=1S/C12H14ClF2NO3S/c13-20(17,18)11-8-9(14)7-10(15)12(11)19-6-5-16-3-1-2-4-16/h7-8H,1-6H2
InChIKeyTZLZMYURAJLHOL-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride
CID 82910013
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine
CID 171109307
3,5-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonyl chloride
CID 82911681
3-bromo-5-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910960
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
4-chloro-5-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzene-1,3-diamine
CID 103553739
3-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82913219
2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,7-difluoroquinazoline
CID 66745147
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
CID 139983014

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride (CID 82921679) is 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)cc(F)c1OCCN1CCCC1.
What is the InChIKey of 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride?
The InChIKey is TZLZMYURAJLHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO3S/c13-20(17,18)11-8-9(14)7-10(15)12(11)19-6-5-16-3-1-2-4-16/h7-8H,1-6H2.
What are the key properties of 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride?
3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride has a molecular weight of 325.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82921679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).