4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide

C25H28N4O3S — CID 3597493

IUPAC4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N4O3S/c1-3-18-29(19-4-2)33(31,32)24-16-10-20(11-17-24)25(30)26-21-12-14-23(15-13-21)28-27-22-8-6-5-7-9-22/h5-17H,3-4,18-19H2,1-2H3,(H,26,30)/b28-27+
InChIKeyOVWVPIOHDHHHGH-BYYHNAKLSA-N
MW464.59 g/mol
LogP6.16
Rot. Bonds10

About 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide

4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide (PubChem CID 3597493) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
PubChem CID3597493
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N4O3S/c1-3-18-29(19-4-2)33(31,32)24-16-10-20(11-17-24)25(30)26-21-12-14-23(15-13-21)28-27-22-8-6-5-7-9-22/h5-17H,3-4,18-19H2,1-2H3,(H,26,30)/b28-27+
InChIKeyOVWVPIOHDHHHGH-BYYHNAKLSA-N
XLogP6.16
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209
N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4929164
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide
CID 2803391
3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide
CID 7579103
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952258

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide (CID 3597493) is 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide?
The InChIKey is OVWVPIOHDHHHGH-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-3-18-29(19-4-2)33(31,32)24-16-10-20(11-17-24)25(30)26-21-12-14-23(15-13-21)28-27-22-8-6-5-7-9-22/h5-17H,3-4,18-19H2,1-2H3,(H,26,30)/b28-27+.
What are the key properties of 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide?
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide has a molecular weight of 464.59 g/mol, XLogP of 6.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide is sourced from PubChem (CID 3597493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).