(4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine

C15H14F3NO2S — CID 10215227

IUPAC(4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(S(=O)(=O)C(N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO2S/c1-10-2-8-13(9-3-10)22(20,21)14(19)11-4-6-12(7-5-11)15(16,17)18/h2-9,14H,19H2,1H3
InChIKeyHZMPFRXZKAXLQF-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.45
Rot. Bonds3

About (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine

(4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 10215227) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID10215227
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC Name(4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(S(=O)(=O)C(N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO2S/c1-10-2-8-13(9-3-10)22(20,21)14(19)11-4-6-12(7-5-11)15(16,17)18/h2-9,14H,19H2,1H3
InChIKeyHZMPFRXZKAXLQF-UHFFFAOYSA-N
XLogP3.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine (CID 10215227) is (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine is Cc1ccc(S(=O)(=O)C(N)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HZMPFRXZKAXLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-10-2-8-13(9-3-10)22(20,21)14(19)11-4-6-12(7-5-11)15(16,17)18/h2-9,14H,19H2,1H3.
What are the key properties of (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine?
(4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 329.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfonyl-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 10215227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).