2-(4-tert-butylphenyl)sulfonylaniline

C16H19NO2S — CID 71398614

IUPAC2-(4-tert-butylphenyl)sulfonylaniline
SMILESCC(C)(C)c1ccc(S(=O)(=O)c2ccccc2N)cc1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)12-8-10-13(11-9-12)20(18,19)15-7-5-4-6-14(15)17/h4-11H,17H2,1-3H3
InChIKeyZCNAEBBYMIHCDA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.40
Rot. Bonds2

About 2-(4-tert-butylphenyl)sulfonylaniline

2-(4-tert-butylphenyl)sulfonylaniline (PubChem CID 71398614) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfonylaniline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfonylaniline
PubChem CID71398614
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(4-tert-butylphenyl)sulfonylaniline
SMILESCC(C)(C)c1ccc(S(=O)(=O)c2ccccc2N)cc1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)12-8-10-13(11-9-12)20(18,19)15-7-5-4-6-14(15)17/h4-11H,17H2,1-3H3
InChIKeyZCNAEBBYMIHCDA-UHFFFAOYSA-N
XLogP3.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.40
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 2-(4-tert-butylphenyl)sulfonylaniline?
The IUPAC name of 2-(4-tert-butylphenyl)sulfonylaniline (CID 71398614) is 2-(4-tert-butylphenyl)sulfonylaniline.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfonylaniline?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfonylaniline is CC(C)(C)c1ccc(S(=O)(=O)c2ccccc2N)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfonylaniline?
The InChIKey is ZCNAEBBYMIHCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(2,3)12-8-10-13(11-9-12)20(18,19)15-7-5-4-6-14(15)17/h4-11H,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfonylaniline?
2-(4-tert-butylphenyl)sulfonylaniline has a molecular weight of 289.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfonylaniline is sourced from PubChem (CID 71398614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).