4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide

C22H23N3O2S — CID 22774845

IUPAC4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-3-17(2)18-9-15-22(16-10-18)28(26,27)25-21-13-11-20(12-14-21)24-23-19-7-5-4-6-8-19/h4-17,25H,3H2,1-2H3/b24-23+
InChIKeyUVEMGMWGLKBHAM-WCWDXBQESA-N
MW393.51 g/mol
LogP6.42
Rot. Bonds7

About 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide

4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide (PubChem CID 22774845) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
PubChem CID22774845
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-3-17(2)18-9-15-22(16-10-18)28(26,27)25-21-13-11-20(12-14-21)24-23-19-7-5-4-6-8-19/h4-17,25H,3H2,1-2H3/b24-23+
InChIKeyUVEMGMWGLKBHAM-WCWDXBQESA-N
XLogP6.42
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
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-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
N-[4-[(2S)-butan-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7940763
4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide (CID 22774845) is 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The InChIKey is UVEMGMWGLKBHAM-WCWDXBQESA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-3-17(2)18-9-15-22(16-10-18)28(26,27)25-21-13-11-20(12-14-21)24-23-19-7-5-4-6-8-19/h4-17,25H,3H2,1-2H3/b24-23+.
What are the key properties of 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide is sourced from PubChem (CID 22774845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).