[3-(4-methylphenyl)sulfonylphenyl]methanamine

C14H15NO2S — CID 117036589

IUPAC[3-(4-methylphenyl)sulfonylphenyl]methanamine
SMILESCc1ccc(S(=O)(=O)c2cccc(CN)c2)cc1
InChIInChI=1S/C14H15NO2S/c1-11-5-7-13(8-6-11)18(16,17)14-4-2-3-12(9-14)10-15/h2-9H,10,15H2,1H3
InChIKeyMOHLNEGBOMHRLK-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.29
Rot. Bonds3

About [3-(4-methylphenyl)sulfonylphenyl]methanamine

[3-(4-methylphenyl)sulfonylphenyl]methanamine (PubChem CID 117036589) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is [3-(4-methylphenyl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[3-(4-methylphenyl)sulfonylphenyl]methanamine
PubChem CID117036589
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name[3-(4-methylphenyl)sulfonylphenyl]methanamine
SMILESCc1ccc(S(=O)(=O)c2cccc(CN)c2)cc1
InChIInChI=1S/C14H15NO2S/c1-11-5-7-13(8-6-11)18(16,17)14-4-2-3-12(9-14)10-15/h2-9H,10,15H2,1H3
InChIKeyMOHLNEGBOMHRLK-UHFFFAOYSA-N
XLogP2.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-bromophenyl)sulfonylphenyl]methanamine
CID 117036591
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
(3-propylsulfonylphenyl)methanamine
CID 83926717
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
1-[3-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene;1-[4-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene
CID 162084371
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343
[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)sulfonylphenyl]methanamine?
The IUPAC name of [3-(4-methylphenyl)sulfonylphenyl]methanamine (CID 117036589) is [3-(4-methylphenyl)sulfonylphenyl]methanamine.
What is the SMILES notation for [3-(4-methylphenyl)sulfonylphenyl]methanamine?
The canonical SMILES for [3-(4-methylphenyl)sulfonylphenyl]methanamine is Cc1ccc(S(=O)(=O)c2cccc(CN)c2)cc1.
What is the InChIKey of [3-(4-methylphenyl)sulfonylphenyl]methanamine?
The InChIKey is MOHLNEGBOMHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-5-7-13(8-6-11)18(16,17)14-4-2-3-12(9-14)10-15/h2-9H,10,15H2,1H3.
What are the key properties of [3-(4-methylphenyl)sulfonylphenyl]methanamine?
[3-(4-methylphenyl)sulfonylphenyl]methanamine has a molecular weight of 261.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)sulfonylphenyl]methanamine is sourced from PubChem (CID 117036589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).