4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide

C24H17ClN6O2S — CID 3021181

IUPAC4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(/N=N/c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H17ClN6O2S/c25-17-8-6-16(7-9-17)22-23(20-4-1-2-5-21(20)28-22)30-29-18-10-12-19(13-11-18)34(32,33)31-24-26-14-3-15-27-24/h1-15,28H,(H,26,27,31)/b30-29+
InChIKeyCUOMMOZRSLRPQK-QVIHXGFCSA-N
MW488.96 g/mol
LogP6.49
Rot. Bonds6

About 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide

4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 3021181) has the molecular formula C24H17ClN6O2S and a molecular weight of 488.96 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID3021181
Molecular FormulaC24H17ClN6O2S
Molecular Weight488.96 g/mol
Exact Mass488.08
IUPAC Name4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(/N=N/c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H17ClN6O2S/c25-17-8-6-16(7-9-17)22-23(20-4-1-2-5-21(20)28-22)30-29-18-10-12-19(13-11-18)34(32,33)31-24-26-14-3-15-27-24/h1-15,28H,(H,26,27,31)/b30-29+
InChIKeyCUOMMOZRSLRPQK-QVIHXGFCSA-N
XLogP6.49
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.96
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide (CID 3021181) is 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(/N=N/c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is CUOMMOZRSLRPQK-QVIHXGFCSA-N. The full InChI is InChI=1S/C24H17ClN6O2S/c25-17-8-6-16(7-9-17)22-23(20-4-1-2-5-21(20)28-22)30-29-18-10-12-19(13-11-18)34(32,33)31-24-26-14-3-15-27-24/h1-15,28H,(H,26,27,31)/b30-29+.
What are the key properties of 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 488.96 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 3021181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).