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

C23H25F2NO6S — CID 18188571

IUPAC[1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOCCOc1ccc2c(c1OC(F)F)-c1ccc(CS(N)(=O)=O)cc1C(CC=C)O2
InChIInChI=1S/C23H25F2NO6S/c1-3-5-18-17-13-15(14-33(26,27)28)6-7-16(17)21-19(31-18)8-9-20(22(21)32-23(24)25)30-12-11-29-10-4-2/h3-4,6-9,13,18,23H,1-2,5,10-12,14H2,(H2,26,27,28)
InChIKeyANAZYQVDUBSSOQ-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.33
Rot. Bonds12

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

[1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188571) has the molecular formula C23H25F2NO6S and a molecular weight of 481.52 g/mol. Its IUPAC name is [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188571
Molecular FormulaC23H25F2NO6S
Molecular Weight481.52 g/mol
Exact Mass481.14
IUPAC Name[1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOCCOc1ccc2c(c1OC(F)F)-c1ccc(CS(N)(=O)=O)cc1C(CC=C)O2
InChIInChI=1S/C23H25F2NO6S/c1-3-5-18-17-13-15(14-33(26,27)28)6-7-16(17)21-19(31-18)8-9-20(22(21)32-23(24)25)30-12-11-29-10-4-2/h3-4,6-9,13,18,23H,1-2,5,10-12,14H2,(H2,26,27,28)
InChIKeyANAZYQVDUBSSOQ-UHFFFAOYSA-N
XLogP4.33
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188571) is [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCOCCOc1ccc2c(c1OC(F)F)-c1ccc(CS(N)(=O)=O)cc1C(CC=C)O2.
What is the InChIKey of [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is ANAZYQVDUBSSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2NO6S/c1-3-5-18-17-13-15(14-33(26,27)28)6-7-16(17)21-19(31-18)8-9-20(22(21)32-23(24)25)30-12-11-29-10-4-2/h3-4,6-9,13,18,23H,1-2,5,10-12,14H2,(H2,26,27,28).
What are the key properties of [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 481.52 g/mol, XLogP of 4.33, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).