4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide

C32H36N2O4S2 — CID 2486227

IUPAC4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H36N2O4S2/c1-31(2,3)25-11-19-29(20-12-25)39(35,36)33-27-15-7-23(8-16-27)24-9-17-28(18-10-24)34-40(37,38)30-21-13-26(14-22-30)32(4,5)6/h7-22,33-34H,1-6H3
InChIKeyISCZKPLEJYUBLL-UHFFFAOYSA-N
MW576.78 g/mol
LogP7.55
Rot. Bonds7

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

4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide (PubChem CID 2486227) has the molecular formula C32H36N2O4S2 and a molecular weight of 576.78 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
PubChem CID2486227
Molecular FormulaC32H36N2O4S2
Molecular Weight576.78 g/mol
Exact Mass576.21
IUPAC Name4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H36N2O4S2/c1-31(2,3)25-11-19-29(20-12-25)39(35,36)33-27-15-7-23(8-16-27)24-9-17-28(18-10-24)34-40(37,38)30-21-13-26(14-22-30)32(4,5)6/h7-22,33-34H,1-6H3
InChIKeyISCZKPLEJYUBLL-UHFFFAOYSA-N
XLogP7.55
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.78
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980197
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
4-tert-butyl-N-[4-[3-(dimethylamino)propylamino]phenyl]benzenesulfonamide
CID 112981608
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
2-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]acetate
CID 6978471
4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 35764196
5-[(4-tert-butylphenyl)sulfonylamino]-2-carboxyphenolate
CID 54725188
N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 162674533
1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-(4-tert-butylphenyl)urea
CID 46882305

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide (CID 2486227) is 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide?
The InChIKey is ISCZKPLEJYUBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O4S2/c1-31(2,3)25-11-19-29(20-12-25)39(35,36)33-27-15-7-23(8-16-27)24-9-17-28(18-10-24)34-40(37,38)30-21-13-26(14-22-30)32(4,5)6/h7-22,33-34H,1-6H3.
What are the key properties of 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide?
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide has a molecular weight of 576.78 g/mol, XLogP of 7.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 2486227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).