(3-methylsulfonylphenyl)-phenylmethanamine

C14H15NO2S — CID 24689082

IUPAC(3-methylsulfonylphenyl)-phenylmethanamine
SMILESCS(=O)(=O)c1cccc(C(N)c2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c1-18(16,17)13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10,14H,15H2,1H3
InChIKeyKTCYDOZUYHQARX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.14
Rot. Bonds3

About (3-methylsulfonylphenyl)-phenylmethanamine

(3-methylsulfonylphenyl)-phenylmethanamine (PubChem CID 24689082) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (3-methylsulfonylphenyl)-phenylmethanamine.

Molecular Properties

Compound Name(3-methylsulfonylphenyl)-phenylmethanamine
PubChem CID24689082
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(3-methylsulfonylphenyl)-phenylmethanamine
SMILESCS(=O)(=O)c1cccc(C(N)c2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c1-18(16,17)13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10,14H,15H2,1H3
InChIKeyKTCYDOZUYHQARX-UHFFFAOYSA-N
XLogP2.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylphenyl)-phenylmethanamine?
The IUPAC name of (3-methylsulfonylphenyl)-phenylmethanamine (CID 24689082) is (3-methylsulfonylphenyl)-phenylmethanamine.
What is the SMILES notation for (3-methylsulfonylphenyl)-phenylmethanamine?
The canonical SMILES for (3-methylsulfonylphenyl)-phenylmethanamine is CS(=O)(=O)c1cccc(C(N)c2ccccc2)c1.
What is the InChIKey of (3-methylsulfonylphenyl)-phenylmethanamine?
The InChIKey is KTCYDOZUYHQARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-18(16,17)13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10,14H,15H2,1H3.
What are the key properties of (3-methylsulfonylphenyl)-phenylmethanamine?
(3-methylsulfonylphenyl)-phenylmethanamine has a molecular weight of 261.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylphenyl)-phenylmethanamine is sourced from PubChem (CID 24689082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).