N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide

C26H21NO4S — CID 10297219

IUPACN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(=O)(=O)c3ccccc3)cc1C(c1ccccc1)O2
InChIInChI=1S/C26H21NO4S/c1-30-23-13-8-14-24-25(23)21-16-15-19(27-32(28,29)20-11-6-3-7-12-20)17-22(21)26(31-24)18-9-4-2-5-10-18/h2-17,26-27H,1H3
InChIKeyLBPUUYGNAXELAJ-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.64
Rot. Bonds5

About N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide

N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide (PubChem CID 10297219) has the molecular formula C26H21NO4S and a molecular weight of 443.52 g/mol. Its IUPAC name is N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
PubChem CID10297219
Molecular FormulaC26H21NO4S
Molecular Weight443.52 g/mol
Exact Mass443.12
IUPAC NameN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(=O)(=O)c3ccccc3)cc1C(c1ccccc1)O2
InChIInChI=1S/C26H21NO4S/c1-30-23-13-8-14-24-25(23)21-16-15-19(27-32(28,29)20-11-6-3-7-12-20)17-22(21)26(31-24)18-9-4-2-5-10-18/h2-17,26-27H,1H3
InChIKeyLBPUUYGNAXELAJ-UHFFFAOYSA-N
XLogP5.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide?
The IUPAC name of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide (CID 10297219) is N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide?
The canonical SMILES for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide is COc1cccc2c1-c1ccc(NS(=O)(=O)c3ccccc3)cc1C(c1ccccc1)O2.
What is the InChIKey of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide?
The InChIKey is LBPUUYGNAXELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO4S/c1-30-23-13-8-14-24-25(23)21-16-15-19(27-32(28,29)20-11-6-3-7-12-20)17-22(21)26(31-24)18-9-4-2-5-10-18/h2-17,26-27H,1H3.
What are the key properties of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide?
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide has a molecular weight of 443.52 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide is sourced from PubChem (CID 10297219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).