N-(4-methoxyphenyl)-2-methylsulfonylaniline

C14H15NO3S — CID 138977183

IUPACN-(4-methoxyphenyl)-2-methylsulfonylaniline
SMILESCOc1ccc(Nc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C14H15NO3S/c1-18-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)19(2,16)17/h3-10,15H,1-2H3
InChIKeyXYQQHKIGAXEZBH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.84
Rot. Bonds4

About N-(4-methoxyphenyl)-2-methylsulfonylaniline

N-(4-methoxyphenyl)-2-methylsulfonylaniline (PubChem CID 138977183) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methylsulfonylaniline
PubChem CID138977183
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(4-methoxyphenyl)-2-methylsulfonylaniline
SMILESCOc1ccc(Nc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C14H15NO3S/c1-18-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)19(2,16)17/h3-10,15H,1-2H3
InChIKeyXYQQHKIGAXEZBH-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methylsulfonylaniline?
The IUPAC name of N-(4-methoxyphenyl)-2-methylsulfonylaniline (CID 138977183) is N-(4-methoxyphenyl)-2-methylsulfonylaniline.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methylsulfonylaniline?
The canonical SMILES for N-(4-methoxyphenyl)-2-methylsulfonylaniline is COc1ccc(Nc2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methylsulfonylaniline?
The InChIKey is XYQQHKIGAXEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)19(2,16)17/h3-10,15H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-2-methylsulfonylaniline?
N-(4-methoxyphenyl)-2-methylsulfonylaniline has a molecular weight of 277.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methylsulfonylaniline is sourced from PubChem (CID 138977183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).