2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone

C11H12ClNO4S — CID 117468002

IUPAC2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(S(=O)(=O)C2COC2)c(Cl)c1
InChIInChI=1S/C11H12ClNO4S/c12-9-3-7(10(14)4-13)1-2-11(9)18(15,16)8-5-17-6-8/h1-3,8H,4-6,13H2
InChIKeyLEPIHACZDBSUGI-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.65
Rot. Bonds4

About 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone

2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone (PubChem CID 117468002) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone
PubChem CID117468002
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(S(=O)(=O)C2COC2)c(Cl)c1
InChIInChI=1S/C11H12ClNO4S/c12-9-3-7(10(14)4-13)1-2-11(9)18(15,16)8-5-17-6-8/h1-3,8H,4-6,13H2
InChIKeyLEPIHACZDBSUGI-UHFFFAOYSA-N
XLogP0.65
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(3-chloro-4-methylsulfonylphenyl)ethanone
CID 84706314
3-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propanoic acid
CID 117490079
1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol
CID 117469790
3-amino-4-(oxetan-3-ylsulfonyl)benzoic acid
CID 84805532
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
3-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]pyrrolidine
CID 117485911
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
3-amino-1-[3-chloro-4-(oxetan-3-yloxy)phenyl]propan-1-one
CID 115005377
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
2-(oxetan-3-ylsulfonyl)phenol
CID 84680337

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone (CID 117468002) is 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone is NCC(=O)c1ccc(S(=O)(=O)C2COC2)c(Cl)c1.
What is the InChIKey of 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone?
The InChIKey is LEPIHACZDBSUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c12-9-3-7(10(14)4-13)1-2-11(9)18(15,16)8-5-17-6-8/h1-3,8H,4-6,13H2.
What are the key properties of 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone?
2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone has a molecular weight of 289.74 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone is sourced from PubChem (CID 117468002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).