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

C23H21NO3S — CID 18188763

IUPAC(6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESC=CCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C23H21NO3S/c1-2-7-17-10-6-11-21-22(17)19-13-12-16(15-28(24,25)26)14-20(19)23(27-21)18-8-4-3-5-9-18/h2-6,8-14,23H,1,7,15H2,(H2,24,25,26)
InChIKeyVRUFCWOHYDUDJT-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.35
Rot. Bonds5

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

(6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 18188763) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound Name(6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID18188763
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name(6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESC=CCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C23H21NO3S/c1-2-7-17-10-6-11-21-22(17)19-13-12-16(15-28(24,25)26)14-20(19)23(27-21)18-8-4-3-5-9-18/h2-6,8-14,23H,1,7,15H2,(H2,24,25,26)
InChIKeyVRUFCWOHYDUDJT-UHFFFAOYSA-N
XLogP4.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 18188763) is (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is C=CCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2.
What is the InChIKey of (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is VRUFCWOHYDUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-2-7-17-10-6-11-21-22(17)19-13-12-16(15-28(24,25)26)14-20(19)23(27-21)18-8-4-3-5-9-18/h2-6,8-14,23H,1,7,15H2,(H2,24,25,26).
What are the key properties of (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
(6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 18188763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).