2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone

C10H12FNO3S — CID 117364606

IUPAC2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone
SMILESCc1cc(F)c(C(=O)CN)cc1S(C)(=O)=O
InChIInChI=1S/C10H12FNO3S/c1-6-3-8(11)7(9(13)5-12)4-10(6)16(2,14)15/h3-4H,5,12H2,1-2H3
InChIKeyRBHOARVBXSEKGN-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.68
Rot. Bonds3

About 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone

2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone (PubChem CID 117364606) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone
PubChem CID117364606
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone
SMILESCc1cc(F)c(C(=O)CN)cc1S(C)(=O)=O
InChIInChI=1S/C10H12FNO3S/c1-6-3-8(11)7(9(13)5-12)4-10(6)16(2,14)15/h3-4H,5,12H2,1-2H3
InChIKeyRBHOARVBXSEKGN-UHFFFAOYSA-N
XLogP0.68
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-fluoro-5-methyl-4-methylsulfonylaniline
CID 141321054
2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
CID 84806364
1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711
2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
CID 59192858
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
N-(diaminomethylidene)-4-ethyl-2-fluoro-5-methylsulfonylbenzamide
CID 18937310
3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine
CID 117327499
2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
CID 117303848

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone (CID 117364606) is 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone is Cc1cc(F)c(C(=O)CN)cc1S(C)(=O)=O.
What is the InChIKey of 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone?
The InChIKey is RBHOARVBXSEKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-6-3-8(11)7(9(13)5-12)4-10(6)16(2,14)15/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone?
2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone has a molecular weight of 245.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 117364606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).