4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride

C10H12ClNO4S — CID 82916384

IUPAC4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
SMILESCCC(Oc1ccc(S(=O)(=O)Cl)cc1)C(N)=O
InChIInChI=1S/C10H12ClNO4S/c1-2-9(10(12)13)16-7-3-5-8(6-4-7)17(11,14)15/h3-6,9H,2H2,1H3,(H2,12,13)
InChIKeyOEONCXMULXGRPK-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.26
Rot. Bonds5

About 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride

4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride (PubChem CID 82916384) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
PubChem CID82916384
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
SMILESCCC(Oc1ccc(S(=O)(=O)Cl)cc1)C(N)=O
InChIInChI=1S/C10H12ClNO4S/c1-2-9(10(12)13)16-7-3-5-8(6-4-7)17(11,14)15/h3-6,9H,2H2,1H3,(H2,12,13)
InChIKeyOEONCXMULXGRPK-UHFFFAOYSA-N
XLogP1.26
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)butanamide
CID 4980758
4-(1-amino-1-oxobutan-2-yl)oxy-2,6-dimethylbenzenesulfonyl chloride
CID 82921535
2-(4-ethoxyphenoxy)butanamide
CID 62901060
2-[4-(methylaminomethyl)phenoxy]butanamide
CID 62900383
4-(1-cyanopropoxy)benzenesulfonyl chloride
CID 82917382
2-(3-chloro-4-nitrophenoxy)butanamide
CID 62899545
2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
CID 82922031
2-(3-aminophenoxy)butanamide
CID 62901524
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
4-(1-amino-1-oxobutan-2-yl)oxy-2-fluorobenzoic acid
CID 107675391
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
CID 175850225
6-butan-2-yloxynaphthalene-2-sulfonyl chloride
CID 135175462

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride?
The IUPAC name of 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride (CID 82916384) is 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride.
What is the SMILES notation for 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride?
The canonical SMILES for 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride is CCC(Oc1ccc(S(=O)(=O)Cl)cc1)C(N)=O.
What is the InChIKey of 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride?
The InChIKey is OEONCXMULXGRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-2-9(10(12)13)16-7-3-5-8(6-4-7)17(11,14)15/h3-6,9H,2H2,1H3,(H2,12,13).
What are the key properties of 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride?
4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride has a molecular weight of 277.73 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride is sourced from PubChem (CID 82916384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).