2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine

C13H14FNO3S — CID 16642496

IUPAC2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine
SMILESCc1cc(S(=O)(=O)C(CN)c2ccco2)ccc1F
InChIInChI=1S/C13H14FNO3S/c1-9-7-10(4-5-11(9)14)19(16,17)13(8-15)12-3-2-6-18-12/h2-7,13H,8,15H2,1H3
InChIKeyHDUJZHWJMQCMOI-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.20
Rot. Bonds4

About 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine

2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine (PubChem CID 16642496) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine
PubChem CID16642496
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Name2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine
SMILESCc1cc(S(=O)(=O)C(CN)c2ccco2)ccc1F
InChIInChI=1S/C13H14FNO3S/c1-9-7-10(4-5-11(9)14)19(16,17)13(8-15)12-3-2-6-18-12/h2-7,13H,8,15H2,1H3
InChIKeyHDUJZHWJMQCMOI-UHFFFAOYSA-N
XLogP2.20
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine (CID 16642496) is 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine is Cc1cc(S(=O)(=O)C(CN)c2ccco2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine?
The InChIKey is HDUJZHWJMQCMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-9-7-10(4-5-11(9)14)19(16,17)13(8-15)12-3-2-6-18-12/h2-7,13H,8,15H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine?
2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine has a molecular weight of 283.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 16642496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).