(1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide

C24H23NO4S — CID 18504082

IUPAC(1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESC=CCc1cc2c(cc1CS(N)(=O)=O)C(c1ccccc1)Oc1cccc(OC)c1-2
InChIInChI=1S/C24H23NO4S/c1-3-8-17-13-19-20(14-18(17)15-30(25,26)27)24(16-9-5-4-6-10-16)29-22-12-7-11-21(28-2)23(19)22/h3-7,9-14,24H,1,8,15H2,2H3,(H2,25,26,27)
InChIKeyIVGDAUCYNKHRCK-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.36
Rot. Bonds6

About (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide

(1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 18504082) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID18504082
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name(1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESC=CCc1cc2c(cc1CS(N)(=O)=O)C(c1ccccc1)Oc1cccc(OC)c1-2
InChIInChI=1S/C24H23NO4S/c1-3-8-17-13-19-20(14-18(17)15-30(25,26)27)24(16-9-5-4-6-10-16)29-22-12-7-11-21(28-2)23(19)22/h3-7,9-14,24H,1,8,15H2,2H3,(H2,25,26,27)
InChIKeyIVGDAUCYNKHRCK-UHFFFAOYSA-N
XLogP4.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 18504082) is (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is C=CCc1cc2c(cc1CS(N)(=O)=O)C(c1ccccc1)Oc1cccc(OC)c1-2.
What is the InChIKey of (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is IVGDAUCYNKHRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-3-8-17-13-19-20(14-18(17)15-30(25,26)27)24(16-9-5-4-6-10-16)29-22-12-7-11-21(28-2)23(19)22/h3-7,9-14,24H,1,8,15H2,2H3,(H2,25,26,27).
What are the key properties of (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
(1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-6-phenyl-9-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 18504082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).