4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide

C26H32N2O4S2 — CID 25042708

IUPAC4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C(C)CC)cc3)cc2)cc1
InChIInChI=1S/C26H32N2O4S2/c1-5-19(3)21-7-15-25(16-8-21)33(29,30)27-23-11-13-24(14-12-23)28-34(31,32)26-17-9-22(10-18-26)20(4)6-2/h7-20,27-28H,5-6H2,1-4H3
InChIKeyOQCFYUFIBKVXOY-UHFFFAOYSA-N
MW500.69 g/mol
LogP6.32
Rot. Bonds10

About 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide

4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 25042708) has the molecular formula C26H32N2O4S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID25042708
Molecular FormulaC26H32N2O4S2
Molecular Weight500.69 g/mol
Exact Mass500.18
IUPAC Name4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C(C)CC)cc3)cc2)cc1
InChIInChI=1S/C26H32N2O4S2/c1-5-19(3)21-7-15-25(16-8-21)33(29,30)27-23-11-13-24(14-12-23)28-34(31,32)26-17-9-22(10-18-26)20(4)6-2/h7-20,27-28H,5-6H2,1-4H3
InChIKeyOQCFYUFIBKVXOY-UHFFFAOYSA-N
XLogP6.32
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
N-[4-[(2R)-butan-2-yl]phenyl]-4-nitrobenzenesulfonamide
CID 796582
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774845
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]-2-methoxyacetamide
CID 55573376
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 25042708) is 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C(C)CC)cc3)cc2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is OQCFYUFIBKVXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S2/c1-5-19(3)21-7-15-25(16-8-21)33(29,30)27-23-11-13-24(14-12-23)28-34(31,32)26-17-9-22(10-18-26)20(4)6-2/h7-20,27-28H,5-6H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 500.69 g/mol, XLogP of 6.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 25042708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).