4-(4-methoxy-2-methylphenyl)sulfonylaniline

C14H15NO3S — CID 14547473

IUPAC4-(4-methoxy-2-methylphenyl)sulfonylaniline
SMILESCOc1ccc(S(=O)(=O)c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C14H15NO3S/c1-10-9-12(18-2)5-8-14(10)19(16,17)13-6-3-11(15)4-7-13/h3-9H,15H2,1-2H3
InChIKeyCBZHAMYIZXMSNE-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.42
Rot. Bonds3

About 4-(4-methoxy-2-methylphenyl)sulfonylaniline

4-(4-methoxy-2-methylphenyl)sulfonylaniline (PubChem CID 14547473) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)sulfonylaniline.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)sulfonylaniline
PubChem CID14547473
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-(4-methoxy-2-methylphenyl)sulfonylaniline
SMILESCOc1ccc(S(=O)(=O)c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C14H15NO3S/c1-10-9-12(18-2)5-8-14(10)19(16,17)13-6-3-11(15)4-7-13/h3-9H,15H2,1-2H3
InChIKeyCBZHAMYIZXMSNE-UHFFFAOYSA-N
XLogP2.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxy-2-methylphenyl)sulfonylaniline?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonylaniline (CID 14547473) is 4-(4-methoxy-2-methylphenyl)sulfonylaniline.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)sulfonylaniline?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)sulfonylaniline is COc1ccc(S(=O)(=O)c2ccc(N)cc2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)sulfonylaniline?
The InChIKey is CBZHAMYIZXMSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-9-12(18-2)5-8-14(10)19(16,17)13-6-3-11(15)4-7-13/h3-9H,15H2,1-2H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)sulfonylaniline?
4-(4-methoxy-2-methylphenyl)sulfonylaniline has a molecular weight of 277.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)sulfonylaniline is sourced from PubChem (CID 14547473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).