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

C15H17NO5S — CID 23275999

IUPAC4-(2,4,6-trimethoxyphenyl)sulfonylaniline
SMILESCOc1cc(OC)c(S(=O)(=O)c2ccc(N)cc2)c(OC)c1
InChIInChI=1S/C15H17NO5S/c1-19-11-8-13(20-2)15(14(9-11)21-3)22(17,18)12-6-4-10(16)5-7-12/h4-9H,16H2,1-3H3
InChIKeyUSQXQBYCUXEKET-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.13
Rot. Bonds5

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

4-(2,4,6-trimethoxyphenyl)sulfonylaniline (PubChem CID 23275999) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-(2,4,6-trimethoxyphenyl)sulfonylaniline.

Molecular Properties

Compound Name4-(2,4,6-trimethoxyphenyl)sulfonylaniline
PubChem CID23275999
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name4-(2,4,6-trimethoxyphenyl)sulfonylaniline
SMILESCOc1cc(OC)c(S(=O)(=O)c2ccc(N)cc2)c(OC)c1
InChIInChI=1S/C15H17NO5S/c1-19-11-8-13(20-2)15(14(9-11)21-3)22(17,18)12-6-4-10(16)5-7-12/h4-9H,16H2,1-3H3
InChIKeyUSQXQBYCUXEKET-UHFFFAOYSA-N
XLogP2.13
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-trimethoxyphenyl)sulfonylaniline?
The IUPAC name of 4-(2,4,6-trimethoxyphenyl)sulfonylaniline (CID 23275999) is 4-(2,4,6-trimethoxyphenyl)sulfonylaniline.
What is the SMILES notation for 4-(2,4,6-trimethoxyphenyl)sulfonylaniline?
The canonical SMILES for 4-(2,4,6-trimethoxyphenyl)sulfonylaniline is COc1cc(OC)c(S(=O)(=O)c2ccc(N)cc2)c(OC)c1.
What is the InChIKey of 4-(2,4,6-trimethoxyphenyl)sulfonylaniline?
The InChIKey is USQXQBYCUXEKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-19-11-8-13(20-2)15(14(9-11)21-3)22(17,18)12-6-4-10(16)5-7-12/h4-9H,16H2,1-3H3.
What are the key properties of 4-(2,4,6-trimethoxyphenyl)sulfonylaniline?
4-(2,4,6-trimethoxyphenyl)sulfonylaniline has a molecular weight of 323.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethoxyphenyl)sulfonylaniline is sourced from PubChem (CID 23275999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).