2-amino-1-(4-methylsulfonylphenyl)ethanone

C9H11NO3S — CID 2763582

IUPAC2-amino-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CN)cc1
InChIInChI=1S/C9H11NO3S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5H,6,10H2,1H3
InChIKeyZOWYIJIPISRPQA-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.23
Rot. Bonds3

About 2-amino-1-(4-methylsulfonylphenyl)ethanone

2-amino-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 2763582) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-amino-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methylsulfonylphenyl)ethanone
PubChem CID2763582
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-amino-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CN)cc1
InChIInChI=1S/C9H11NO3S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5H,6,10H2,1H3
InChIKeyZOWYIJIPISRPQA-UHFFFAOYSA-N
XLogP0.23
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylsulfonylphenyl)-3-oxopropanoic acid
CID 116917988
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030
4-methylsulfonylbenzohydrazide
CID 11042107
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
1-(4-methylsulfonylphenyl)octan-1-one
CID 86016646
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967807
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
2-(aminomethyl)-2-chloro-3-(4-methylsulfonylphenyl)-3-oxopropanoic acid
CID 68606098
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
2-methylpropyl 4-methylsulfonylbenzoate
CID 19433711

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-methylsulfonylphenyl)ethanone (CID 2763582) is 2-amino-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is ZOWYIJIPISRPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5H,6,10H2,1H3.
What are the key properties of 2-amino-1-(4-methylsulfonylphenyl)ethanone?
2-amino-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 213.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 2763582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).