4-anilino-3-(phenylsulfamoyl)benzenediazonium

C18H15N4O2S+ — CID 88786798

IUPAC4-anilino-3-(phenylsulfamoyl)benzenediazonium
SMILESN#[N+]c1ccc(Nc2ccccc2)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H15N4O2S/c19-21-16-11-12-17(20-14-7-3-1-4-8-14)18(13-16)25(23,24)22-15-9-5-2-6-10-15/h1-13,20,22H/q+1
InChIKeyIVUQKRJEYNORCH-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.72
Rot. Bonds5

About 4-anilino-3-(phenylsulfamoyl)benzenediazonium

4-anilino-3-(phenylsulfamoyl)benzenediazonium (PubChem CID 88786798) has the molecular formula C18H15N4O2S+ and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-anilino-3-(phenylsulfamoyl)benzenediazonium.

Molecular Properties

Compound Name4-anilino-3-(phenylsulfamoyl)benzenediazonium
PubChem CID88786798
Molecular FormulaC18H15N4O2S+
Molecular Weight351.41 g/mol
Exact Mass351.09
IUPAC Name4-anilino-3-(phenylsulfamoyl)benzenediazonium
SMILESN#[N+]c1ccc(Nc2ccccc2)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H15N4O2S/c19-21-16-11-12-17(20-14-7-3-1-4-8-14)18(13-16)25(23,24)22-15-9-5-2-6-10-15/h1-13,20,22H/q+1
InChIKeyIVUQKRJEYNORCH-UHFFFAOYSA-N
XLogP4.72
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-anilino-5-diazoniobenzenesulfonate
CID 177466574
4-anilino-1-diazonionaphthalene-2-sulfonate
CID 19933803
N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
4-amino-2-(phenylsulfamoyl)benzoic acid
CID 102930725
4,5-diamino-2-anilinobenzenesulfonic acid
CID 151889508
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
3-(phenylsulfamoyl)-4-(propan-2-ylamino)benzoic acid
CID 99980018
2-(methylamino)-5-(phenylsulfamoyl)benzoic acid
CID 99988698
N-(2-anilino-5-nitrophenyl)-2-methylsulfonylbenzenesulfonamide
CID 25374489

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-(phenylsulfamoyl)benzenediazonium?
The IUPAC name of 4-anilino-3-(phenylsulfamoyl)benzenediazonium (CID 88786798) is 4-anilino-3-(phenylsulfamoyl)benzenediazonium.
What is the SMILES notation for 4-anilino-3-(phenylsulfamoyl)benzenediazonium?
The canonical SMILES for 4-anilino-3-(phenylsulfamoyl)benzenediazonium is N#[N+]c1ccc(Nc2ccccc2)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-anilino-3-(phenylsulfamoyl)benzenediazonium?
The InChIKey is IVUQKRJEYNORCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N4O2S/c19-21-16-11-12-17(20-14-7-3-1-4-8-14)18(13-16)25(23,24)22-15-9-5-2-6-10-15/h1-13,20,22H/q+1.
What are the key properties of 4-anilino-3-(phenylsulfamoyl)benzenediazonium?
4-anilino-3-(phenylsulfamoyl)benzenediazonium has a molecular weight of 351.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-(phenylsulfamoyl)benzenediazonium is sourced from PubChem (CID 88786798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).