[2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine

C14H12Cl2FNO2S — CID 64697782

IUPAC[2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c15-11-2-4-13(16)14(6-11)21(19,20)8-9-1-3-12(17)5-10(9)7-18/h1-6H,7-8,18H2
InChIKeyOJMQFHJWORQKHR-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.57
Rot. Bonds4

About [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine

[2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine (PubChem CID 64697782) has the molecular formula C14H12Cl2FNO2S and a molecular weight of 348.23 g/mol. Its IUPAC name is [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
PubChem CID64697782
Molecular FormulaC14H12Cl2FNO2S
Molecular Weight348.23 g/mol
Exact Mass346.99
IUPAC Name[2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c15-11-2-4-13(16)14(6-11)21(19,20)8-9-1-3-12(17)5-10(9)7-18/h1-6H,7-8,18H2
InChIKeyOJMQFHJWORQKHR-UHFFFAOYSA-N
XLogP3.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine (CID 64697782) is [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine is NCc1cc(F)ccc1CS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine?
The InChIKey is OJMQFHJWORQKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2S/c15-11-2-4-13(16)14(6-11)21(19,20)8-9-1-3-12(17)5-10(9)7-18/h1-6H,7-8,18H2.
What are the key properties of [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine?
[2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine has a molecular weight of 348.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 64697782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).