2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone

C11H14ClNO3S — CID 82180151

IUPAC2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone
SMILESNCCCS(=O)(=O)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c12-10-4-2-9(3-5-10)11(14)8-17(15,16)7-1-6-13/h2-5H,1,6-8,13H2
InChIKeyGQRQGYJDTWBWMR-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.29
Rot. Bonds6

About 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone

2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone (PubChem CID 82180151) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone
PubChem CID82180151
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone
SMILESNCCCS(=O)(=O)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c12-10-4-2-9(3-5-10)11(14)8-17(15,16)7-1-6-13/h2-5H,1,6-8,13H2
InChIKeyGQRQGYJDTWBWMR-UHFFFAOYSA-N
XLogP1.29
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-(2-methylpropylsulfonyl)ethanone
CID 64642371
2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone
CID 82180145
1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 2735795
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
2-butylsulfonyl-1-(3,4-dichlorophenyl)ethanone
CID 64637858
1-(4-bromophenyl)-2-butylsulfonylethanone
CID 64636338
2-butylsulfonyl-1-(3-chlorophenyl)ethanone
CID 64635960
2-(4-aminobutylsulfonyl)-1-(3-methoxyphenyl)ethanone
CID 82180368
1-(4-chlorophenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanone
CID 106497088
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009
4-amino-1-(4-chlorophenyl)butane-1,3-dione
CID 70490011
1-(4-ethylphenyl)-2-propylsulfonylethanone
CID 64641647

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone (CID 82180151) is 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone is NCCCS(=O)(=O)CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone?
The InChIKey is GQRQGYJDTWBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-10-4-2-9(3-5-10)11(14)8-17(15,16)7-1-6-13/h2-5H,1,6-8,13H2.
What are the key properties of 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone?
2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone has a molecular weight of 275.76 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 82180151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).