[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine

C14H14ClNO3S — CID 63086683

IUPAC[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(CN)cc2Cl)cc1
InChIInChI=1S/C14H14ClNO3S/c1-20(17,18)12-5-3-11(4-6-12)19-14-7-2-10(9-16)8-13(14)15/h2-8H,9,16H2,1H3
InChIKeyPFKWYTOHGOKITI-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.99
Rot. Bonds4

About [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine

[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine (PubChem CID 63086683) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
PubChem CID63086683
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(CN)cc2Cl)cc1
InChIInChI=1S/C14H14ClNO3S/c1-20(17,18)12-5-3-11(4-6-12)19-14-7-2-10(9-16)8-13(14)15/h2-8H,9,16H2,1H3
InChIKeyPFKWYTOHGOKITI-UHFFFAOYSA-N
XLogP2.99
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182
2-[3-methyl-4-(4-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803669
2-(4-ethylphenoxy)-5-methylsulfonylaniline
CID 43448142
4-chloro-2-(chloromethyl)-1-(4-methylsulfonylphenoxy)benzene
CID 114847043
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
1-chloro-2-(chloromethyl)-3-(4-methylsulfonylphenoxy)benzene
CID 43807153
[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 114879942
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine (CID 63086683) is [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine is CS(=O)(=O)c1ccc(Oc2ccc(CN)cc2Cl)cc1.
What is the InChIKey of [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine?
The InChIKey is PFKWYTOHGOKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-20(17,18)12-5-3-11(4-6-12)19-14-7-2-10(9-16)8-13(14)15/h2-8H,9,16H2,1H3.
What are the key properties of [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine?
[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine has a molecular weight of 311.79 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63086683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).