4-[4-(4-methylphenyl)sulfonylphenoxy]aniline

C19H17NO3S — CID 6611791

IUPAC4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-2-10-18(11-3-14)24(21,22)19-12-8-17(9-13-19)23-16-6-4-15(20)5-7-16/h2-13H,20H2,1H3
InChIKeyFYQDMLBWORCYQY-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.20
Rot. Bonds4

About 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline

4-[4-(4-methylphenyl)sulfonylphenoxy]aniline (PubChem CID 6611791) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
PubChem CID6611791
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-2-10-18(11-3-14)24(21,22)19-12-8-17(9-13-19)23-16-6-4-15(20)5-7-16/h2-13H,20H2,1H3
InChIKeyFYQDMLBWORCYQY-UHFFFAOYSA-N
XLogP4.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
CID 118474119
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline;1,1'-biphenyl
CID 160996826
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 59008627
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 59165224

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline (CID 6611791) is 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline is Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline?
The InChIKey is FYQDMLBWORCYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-2-10-18(11-3-14)24(21,22)19-12-8-17(9-13-19)23-16-6-4-15(20)5-7-16/h2-13H,20H2,1H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline?
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline has a molecular weight of 339.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonylphenoxy]aniline is sourced from PubChem (CID 6611791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).