4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide

C22H16ClNO4S — CID 174374747

IUPAC4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)C(C=O)c3ccccc3O2)cc1
InChIInChI=1S/C22H16ClNO4S/c23-16-9-5-14(6-10-16)21-19(13-25)18-3-1-2-4-20(18)28-22(21)15-7-11-17(12-8-15)29(24,26)27/h1-13,19H,(H2,24,26,27)
InChIKeySIUCECGVRPHGTJ-UHFFFAOYSA-N
MW425.89 g/mol
LogP4.23
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide (PubChem CID 174374747) has the molecular formula C22H16ClNO4S and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide
PubChem CID174374747
Molecular FormulaC22H16ClNO4S
Molecular Weight425.89 g/mol
Exact Mass425.05
IUPAC Name4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)C(C=O)c3ccccc3O2)cc1
InChIInChI=1S/C22H16ClNO4S/c23-16-9-5-14(6-10-16)21-19(13-25)18-3-1-2-4-20(18)28-22(21)15-7-11-17(12-8-15)29(24,26)27/h1-13,19H,(H2,24,26,27)
InChIKeySIUCECGVRPHGTJ-UHFFFAOYSA-N
XLogP4.23
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide (CID 174374747) is 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)C(C=O)c3ccccc3O2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide?
The InChIKey is SIUCECGVRPHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4S/c23-16-9-5-14(6-10-16)21-19(13-25)18-3-1-2-4-20(18)28-22(21)15-7-11-17(12-8-15)29(24,26)27/h1-13,19H,(H2,24,26,27).
What are the key properties of 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide has a molecular weight of 425.89 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide is sourced from PubChem (CID 174374747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).