[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine

C15H17NO3S — CID 64697987

IUPAC[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C15H17NO3S/c1-19-14-6-8-15(9-7-14)20(17,18)11-13-4-2-12(10-16)3-5-13/h2-9H,10-11,16H2,1H3
InChIKeyOUWQNEDQCIVRLJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.13
Rot. Bonds5

About [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine

[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine (PubChem CID 64697987) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
PubChem CID64697987
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C15H17NO3S/c1-19-14-6-8-15(9-7-14)20(17,18)11-13-4-2-12(10-16)3-5-13/h2-9H,10-11,16H2,1H3
InChIKeyOUWQNEDQCIVRLJ-UHFFFAOYSA-N
XLogP2.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane
CID 90224558
3-fluoro-5-[(4-methoxyphenyl)sulfonylmethyl]aniline
CID 115980924
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742
(4-propylsulfonylphenyl)methanamine
CID 57438061
2-[(4-methoxyphenyl)methylsulfonyl]-1-oxidopyridin-1-ium
CID 501086
2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 155943131
[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine
CID 142805303
[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
CID 64640596
4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine (CID 64697987) is [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine is COc1ccc(S(=O)(=O)Cc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is OUWQNEDQCIVRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-19-14-6-8-15(9-7-14)20(17,18)11-13-4-2-12(10-16)3-5-13/h2-9H,10-11,16H2,1H3.
What are the key properties of [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine?
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 291.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 64697987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).