[2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine

C15H16ClNO2S — CID 81328600

IUPAC[2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c16-13-5-7-14(8-6-13)20(18)10-9-19-15-4-2-1-3-12(15)11-17/h1-8H,9-11,17H2
InChIKeyQXVYJMWBEJRLAZ-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.99
Rot. Bonds6

About [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine

[2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine (PubChem CID 81328600) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine
PubChem CID81328600
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name[2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c16-13-5-7-14(8-6-13)20(18)10-9-19-15-4-2-1-3-12(15)11-17/h1-8H,9-11,17H2
InChIKeyQXVYJMWBEJRLAZ-UHFFFAOYSA-N
XLogP2.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine (CID 81328600) is [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine is NCc1ccccc1OCCS(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine?
The InChIKey is QXVYJMWBEJRLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-13-5-7-14(8-6-13)20(18)10-9-19-15-4-2-1-3-12(15)11-17/h1-8H,9-11,17H2.
What are the key properties of [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine?
[2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine has a molecular weight of 309.82 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine is sourced from PubChem (CID 81328600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).