2-fluoro-2-(3-methylphenyl)sulfonylethanamine

C9H12FNO2S — CID 115030019

IUPAC2-fluoro-2-(3-methylphenyl)sulfonylethanamine
SMILESCc1cccc(S(=O)(=O)C(F)CN)c1
InChIInChI=1S/C9H12FNO2S/c1-7-3-2-4-8(5-7)14(12,13)9(10)6-11/h2-5,9H,6,11H2,1H3
InChIKeyVNDWUIHSLIZTJT-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.02
Rot. Bonds3

About 2-fluoro-2-(3-methylphenyl)sulfonylethanamine

2-fluoro-2-(3-methylphenyl)sulfonylethanamine (PubChem CID 115030019) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-fluoro-2-(3-methylphenyl)sulfonylethanamine.

Molecular Properties

Compound Name2-fluoro-2-(3-methylphenyl)sulfonylethanamine
PubChem CID115030019
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name2-fluoro-2-(3-methylphenyl)sulfonylethanamine
SMILESCc1cccc(S(=O)(=O)C(F)CN)c1
InChIInChI=1S/C9H12FNO2S/c1-7-3-2-4-8(5-7)14(12,13)9(10)6-11/h2-5,9H,6,11H2,1H3
InChIKeyVNDWUIHSLIZTJT-UHFFFAOYSA-N
XLogP1.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(3-methylphenyl)sulfonylbutan-1-amine
CID 117037739
2-(3-methylphenyl)sulfonylbutan-1-amine
CID 64696626
3-methylbenzenesulfonamide
CID 69347063
N,3-dimethyl-2-(3-methylphenyl)sulfonylbutan-1-amine
CID 117037756
3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64698276
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
(3-methylphenyl)sulfonylazanide
CID 158627668
(E)-3-fluoro-2-[(3-methylphenyl)sulfonylmethyl]prop-2-en-1-amine
CID 170972349
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-3-methylbenzene
CID 64758113
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methylphenyl)sulfonylethanamine?
The IUPAC name of 2-fluoro-2-(3-methylphenyl)sulfonylethanamine (CID 115030019) is 2-fluoro-2-(3-methylphenyl)sulfonylethanamine.
What is the SMILES notation for 2-fluoro-2-(3-methylphenyl)sulfonylethanamine?
The canonical SMILES for 2-fluoro-2-(3-methylphenyl)sulfonylethanamine is Cc1cccc(S(=O)(=O)C(F)CN)c1.
What is the InChIKey of 2-fluoro-2-(3-methylphenyl)sulfonylethanamine?
The InChIKey is VNDWUIHSLIZTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-7-3-2-4-8(5-7)14(12,13)9(10)6-11/h2-5,9H,6,11H2,1H3.
What are the key properties of 2-fluoro-2-(3-methylphenyl)sulfonylethanamine?
2-fluoro-2-(3-methylphenyl)sulfonylethanamine has a molecular weight of 217.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methylphenyl)sulfonylethanamine is sourced from PubChem (CID 115030019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).