2-(benzenesulfonyl)-1-phenylethanamine

C14H15NO2S — CID 12600202

IUPAC2-(benzenesulfonyl)-1-phenylethanamine
SMILESNC(CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14H,11,15H2
InChIKeyLQUFJHSMBJJCIF-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.16
Rot. Bonds4

About 2-(benzenesulfonyl)-1-phenylethanamine

2-(benzenesulfonyl)-1-phenylethanamine (PubChem CID 12600202) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-phenylethanamine
PubChem CID12600202
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(benzenesulfonyl)-1-phenylethanamine
SMILESNC(CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14H,11,15H2
InChIKeyLQUFJHSMBJJCIF-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-phenylethanamine?
The IUPAC name of 2-(benzenesulfonyl)-1-phenylethanamine (CID 12600202) is 2-(benzenesulfonyl)-1-phenylethanamine.
What is the SMILES notation for 2-(benzenesulfonyl)-1-phenylethanamine?
The canonical SMILES for 2-(benzenesulfonyl)-1-phenylethanamine is NC(CS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-phenylethanamine?
The InChIKey is LQUFJHSMBJJCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14H,11,15H2.
What are the key properties of 2-(benzenesulfonyl)-1-phenylethanamine?
2-(benzenesulfonyl)-1-phenylethanamine has a molecular weight of 261.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-phenylethanamine is sourced from PubChem (CID 12600202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).