[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

C15H15ClF3NO2S — CID 166611510

IUPAC[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCS(=O)(=O)c1cccc(-c2ccc(CN)c(C(F)(F)F)c2)c1.Cl
InChIInChI=1S/C15H14F3NO2S.ClH/c1-22(20,21)13-4-2-3-10(7-13)11-5-6-12(9-19)14(8-11)15(16,17)18;/h2-8H,9,19H2,1H3;1H
InChIKeyRVGRQQRXVHQYMY-UHFFFAOYSA-N
MW365.80 g/mol
LogP3.66
Rot. Bonds3

About [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 166611510) has the molecular formula C15H15ClF3NO2S and a molecular weight of 365.80 g/mol. Its IUPAC name is [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID166611510
Molecular FormulaC15H15ClF3NO2S
Molecular Weight365.80 g/mol
Exact Mass365.05
IUPAC Name[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCS(=O)(=O)c1cccc(-c2ccc(CN)c(C(F)(F)F)c2)c1.Cl
InChIInChI=1S/C15H14F3NO2S.ClH/c1-22(20,21)13-4-2-3-10(7-13)11-5-6-12(9-19)14(8-11)15(16,17)18;/h2-8H,9,19H2,1H3;1H
InChIKeyRVGRQQRXVHQYMY-UHFFFAOYSA-N
XLogP3.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 166611510) is [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is CS(=O)(=O)c1cccc(-c2ccc(CN)c(C(F)(F)F)c2)c1.Cl.
What is the InChIKey of [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is RVGRQQRXVHQYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S.ClH/c1-22(20,21)13-4-2-3-10(7-13)11-5-6-12(9-19)14(8-11)15(16,17)18;/h2-8H,9,19H2,1H3;1H.
What are the key properties of [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 365.80 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 166611510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).