4-(2,4,6-trimethylphenyl)sulfonylaniline

C15H17NO2S — CID 23275167

IUPAC4-(2,4,6-trimethylphenyl)sulfonylaniline
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C15H17NO2S/c1-10-8-11(2)15(12(3)9-10)19(17,18)14-6-4-13(16)5-7-14/h4-9H,16H2,1-3H3
InChIKeyCSKHUPCUDIULCD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.03
Rot. Bonds2

About 4-(2,4,6-trimethylphenyl)sulfonylaniline

4-(2,4,6-trimethylphenyl)sulfonylaniline (PubChem CID 23275167) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)sulfonylaniline.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)sulfonylaniline
PubChem CID23275167
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-(2,4,6-trimethylphenyl)sulfonylaniline
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C15H17NO2S/c1-10-8-11(2)15(12(3)9-10)19(17,18)14-6-4-13(16)5-7-14/h4-9H,16H2,1-3H3
InChIKeyCSKHUPCUDIULCD-UHFFFAOYSA-N
XLogP3.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)sulfonylaniline?
The IUPAC name of 4-(2,4,6-trimethylphenyl)sulfonylaniline (CID 23275167) is 4-(2,4,6-trimethylphenyl)sulfonylaniline.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)sulfonylaniline?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)sulfonylaniline is Cc1cc(C)c(S(=O)(=O)c2ccc(N)cc2)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)sulfonylaniline?
The InChIKey is CSKHUPCUDIULCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-8-11(2)15(12(3)9-10)19(17,18)14-6-4-13(16)5-7-14/h4-9H,16H2,1-3H3.
What are the key properties of 4-(2,4,6-trimethylphenyl)sulfonylaniline?
4-(2,4,6-trimethylphenyl)sulfonylaniline has a molecular weight of 275.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)sulfonylaniline is sourced from PubChem (CID 23275167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).