[4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine

C13H11ClFNO2S — CID 66609777

IUPAC[4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C13H11ClFNO2S/c14-10-5-11(15)7-13(6-10)19(17,18)12-3-1-9(8-16)2-4-12/h1-7H,8,16H2
InChIKeyGDOVIKJXAARLRY-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.77
Rot. Bonds3

About [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine

[4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine (PubChem CID 66609777) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine
PubChem CID66609777
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC Name[4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C13H11ClFNO2S/c14-10-5-11(15)7-13(6-10)19(17,18)12-3-1-9(8-16)2-4-12/h1-7H,8,16H2
InChIKeyGDOVIKJXAARLRY-UHFFFAOYSA-N
XLogP2.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine?
The IUPAC name of [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine (CID 66609777) is [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine.
What is the SMILES notation for [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine?
The canonical SMILES for [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine is NCc1ccc(S(=O)(=O)c2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine?
The InChIKey is GDOVIKJXAARLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c14-10-5-11(15)7-13(6-10)19(17,18)12-3-1-9(8-16)2-4-12/h1-7H,8,16H2.
What are the key properties of [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine?
[4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine has a molecular weight of 299.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-5-fluorophenyl)sulfonylphenyl]methanamine is sourced from PubChem (CID 66609777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).