N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide

C22H23NO2S — CID 138967921

IUPACN-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2S/c1-22(2,3)18-15-13-17(14-16-18)20-11-7-8-12-21(20)23-26(24,25)19-9-5-4-6-10-19/h4-16,23H,1-3H3
InChIKeyJUQVAYSNTJNKQF-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.45
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide

N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide (PubChem CID 138967921) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide
PubChem CID138967921
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2S/c1-22(2,3)18-15-13-17(14-16-18)20-11-7-8-12-21(20)23-26(24,25)19-9-5-4-6-10-19/h4-16,23H,1-3H3
InChIKeyJUQVAYSNTJNKQF-UHFFFAOYSA-N
XLogP5.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide (CID 138967921) is N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide is CC(C)(C)c1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide?
The InChIKey is JUQVAYSNTJNKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-22(2,3)18-15-13-17(14-16-18)20-11-7-8-12-21(20)23-26(24,25)19-9-5-4-6-10-19/h4-16,23H,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide?
N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 138967921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).