4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide

C18H14ClN3O2S — CID 4289928

IUPAC4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-14-6-12-18(13-7-14)25(23,24)22-17-10-8-16(9-11-17)21-20-15-4-2-1-3-5-15/h1-13,22H/b21-20+
InChIKeyKXTCFEVQYPBFMS-QZQOTICOSA-N
MW371.85 g/mol
LogP5.56
Rot. Bonds5

About 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide

4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide (PubChem CID 4289928) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
PubChem CID4289928
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-14-6-12-18(13-7-14)25(23,24)22-17-10-8-16(9-11-17)21-20-15-4-2-1-3-5-15/h1-13,22H/b21-20+
InChIKeyKXTCFEVQYPBFMS-QZQOTICOSA-N
XLogP5.56
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.85
LogP ≤ 55.56
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

3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774852
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774845
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide
CID 4730055
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7544010
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide (CID 4289928) is 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The InChIKey is KXTCFEVQYPBFMS-QZQOTICOSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-14-6-12-18(13-7-14)25(23,24)22-17-10-8-16(9-11-17)21-20-15-4-2-1-3-5-15/h1-13,22H/b21-20+.
What are the key properties of 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide has a molecular weight of 371.85 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide is sourced from PubChem (CID 4289928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).