4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide

C30H19ClN4O5S — CID 118733971

IUPAC4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccc(Cl)cc2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C30H19ClN4O5S/c31-21-10-8-19(9-11-21)29-33-25(17-20-18-40-26-6-2-1-5-24(26)28(20)36)30(37)35(29)22-12-14-23(15-13-22)41(38,39)34-27-7-3-4-16-32-27/h1-18H,(H,32,34)/b25-17-
InChIKeyAMSJZFXMCOHKTL-UQQQWYQISA-N
MW583.03 g/mol
LogP5.48
Rot. Bonds6

About 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide

4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 118733971) has the molecular formula C30H19ClN4O5S and a molecular weight of 583.03 g/mol. Its IUPAC name is 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID118733971
Molecular FormulaC30H19ClN4O5S
Molecular Weight583.03 g/mol
Exact Mass582.08
IUPAC Name4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccc(Cl)cc2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C30H19ClN4O5S/c31-21-10-8-19(9-11-21)29-33-25(17-20-18-40-26-6-2-1-5-24(26)28(20)36)30(37)35(29)22-12-14-23(15-13-22)41(38,39)34-27-7-3-4-16-32-27/h1-18H,(H,32,34)/b25-17-
InChIKeyAMSJZFXMCOHKTL-UQQQWYQISA-N
XLogP5.48
TPSA121.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.03
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide (CID 118733971) is 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide is O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccc(Cl)cc2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is AMSJZFXMCOHKTL-UQQQWYQISA-N. The full InChI is InChI=1S/C30H19ClN4O5S/c31-21-10-8-19(9-11-21)29-33-25(17-20-18-40-26-6-2-1-5-24(26)28(20)36)30(37)35(29)22-12-14-23(15-13-22)41(38,39)34-27-7-3-4-16-32-27/h1-18H,(H,32,34)/b25-17-.
What are the key properties of 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide?
4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 583.03 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 118733971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).