5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride

C12H15ClFNO4S — CID 82909610

IUPAC5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESCC(C)CNC(=O)COc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H15ClFNO4S/c1-8(2)6-15-12(16)7-19-10-4-3-9(14)5-11(10)20(13,17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyQETUCTDBTKHNMO-UHFFFAOYSA-N
MW323.77 g/mol
LogP1.90
Rot. Bonds6

About 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride

5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride (PubChem CID 82909610) has the molecular formula C12H15ClFNO4S and a molecular weight of 323.77 g/mol. Its IUPAC name is 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride
PubChem CID82909610
Molecular FormulaC12H15ClFNO4S
Molecular Weight323.77 g/mol
Exact Mass323.04
IUPAC Name5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESCC(C)CNC(=O)COc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H15ClFNO4S/c1-8(2)6-15-12(16)7-19-10-4-3-9(14)5-11(10)20(13,17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyQETUCTDBTKHNMO-UHFFFAOYSA-N
XLogP1.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 1082957
CID 1082957
CID 3153452
CID 3153452
CID 2204731
CID 2204731
CID 2211189
CID 2211189
CID 50946647
CID 50946647
CID 6461312
CID 6461312
CID 16278917
CID 16278917
CID 49688258
CID 49688258
CID 45825076
CID 45825076
CID 47156920
CID 47156920
CID 50944705
CID 50944705
CID 53288871
CID 53288871

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride (CID 82909610) is 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride is CC(C)CNC(=O)COc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The InChIKey is QETUCTDBTKHNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4S/c1-8(2)6-15-12(16)7-19-10-4-3-9(14)5-11(10)20(13,17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride has a molecular weight of 323.77 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82909610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).