5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride

C12H15ClFNO4S — CID 82909695

IUPAC5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
SMILESCC(C)NC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H15ClFNO4S/c1-7(2)15-12(16)8(3)19-10-5-4-9(14)6-11(10)20(13,17)18/h4-8H,1-3H3,(H,15,16)
InChIKeyNXYBEZIVTPTXSN-UHFFFAOYSA-N
MW323.77 g/mol
LogP2.05
Rot. Bonds5

About 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride

5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride (PubChem CID 82909695) has the molecular formula C12H15ClFNO4S and a molecular weight of 323.77 g/mol. Its IUPAC name is 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
PubChem CID82909695
Molecular FormulaC12H15ClFNO4S
Molecular Weight323.77 g/mol
Exact Mass323.04
IUPAC Name5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
SMILESCC(C)NC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H15ClFNO4S/c1-7(2)15-12(16)8(3)19-10-5-4-9(14)6-11(10)20(13,17)18/h4-8H,1-3H3,(H,15,16)
InChIKeyNXYBEZIVTPTXSN-UHFFFAOYSA-N
XLogP2.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
N-cycloheptyl-2-{4-[(isopropylamino)sulfonyl]phenoxy}acetamide
CID 1295546
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propan-2-ylacetamide
CID 2327280
N-(3-methoxypropyl)-2-{4-[(propylamino)sulfonyl]phenoxy}acetamide
CID 2204731
2-(4-sec-Butylsulfamoyl-phenoxy)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 2950312
N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2999657
N-Isopropyl-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-benzenesulfonamide
CID 893235
N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3156728
2-[4-(aminosulfonyl)phenoxy]-N-isopropylpropanamide
CID 6461312
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-fluorophenoxy)acetamide
CID 16278917

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride (CID 82909695) is 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride is CC(C)NC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride?
The InChIKey is NXYBEZIVTPTXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4S/c1-7(2)15-12(16)8(3)19-10-5-4-9(14)6-11(10)20(13,17)18/h4-8H,1-3H3,(H,15,16).
What are the key properties of 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride?
5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride has a molecular weight of 323.77 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride is sourced from PubChem (CID 82909695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).