2-[3-(benzenesulfonyl)phenyl]ethanamine

C14H15NO2S — CID 11849199

IUPAC2-[3-(benzenesulfonyl)phenyl]ethanamine
SMILESNCCc1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c15-10-9-12-5-4-8-14(11-12)18(16,17)13-6-2-1-3-7-13/h1-8,11H,9-10,15H2
InChIKeyPXOKRWBUDGQCDL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.02
Rot. Bonds4

About 2-[3-(benzenesulfonyl)phenyl]ethanamine

2-[3-(benzenesulfonyl)phenyl]ethanamine (PubChem CID 11849199) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)phenyl]ethanamine
PubChem CID11849199
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[3-(benzenesulfonyl)phenyl]ethanamine
SMILESNCCc1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c15-10-9-12-5-4-8-14(11-12)18(16,17)13-6-2-1-3-7-13/h1-8,11H,9-10,15H2
InChIKeyPXOKRWBUDGQCDL-UHFFFAOYSA-N
XLogP2.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)phenyl]ethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)phenyl]ethanamine (CID 11849199) is 2-[3-(benzenesulfonyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)phenyl]ethanamine is NCCc1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)phenyl]ethanamine?
The InChIKey is PXOKRWBUDGQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c15-10-9-12-5-4-8-14(11-12)18(16,17)13-6-2-1-3-7-13/h1-8,11H,9-10,15H2.
What are the key properties of 2-[3-(benzenesulfonyl)phenyl]ethanamine?
2-[3-(benzenesulfonyl)phenyl]ethanamine has a molecular weight of 261.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)phenyl]ethanamine is sourced from PubChem (CID 11849199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).