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

C18H17F2NO5S — CID 18188692

IUPAC[1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCC1Oc2ccc(O)c(OC(F)F)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C18H17F2NO5S/c1-2-3-14-12-8-10(9-27(21,23)24)4-5-11(12)16-15(25-14)7-6-13(22)17(16)26-18(19)20/h2,4-8,14,18,22H,1,3,9H2,(H2,21,23,24)
InChIKeyZVENMOPIGUKSLY-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.46
Rot. Bonds6

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

[1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188692) has the molecular formula C18H17F2NO5S and a molecular weight of 397.40 g/mol. Its IUPAC name is [1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188692
Molecular FormulaC18H17F2NO5S
Molecular Weight397.40 g/mol
Exact Mass397.08
IUPAC Name[1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCC1Oc2ccc(O)c(OC(F)F)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C18H17F2NO5S/c1-2-3-14-12-8-10(9-27(21,23)24)4-5-11(12)16-15(25-14)7-6-13(22)17(16)26-18(19)20/h2,4-8,14,18,22H,1,3,9H2,(H2,21,23,24)
InChIKeyZVENMOPIGUKSLY-UHFFFAOYSA-N
XLogP3.46
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188692) is [1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCC1Oc2ccc(O)c(OC(F)F)c2-c2ccc(CS(N)(=O)=O)cc21.
What is the InChIKey of [1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is ZVENMOPIGUKSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO5S/c1-2-3-14-12-8-10(9-27(21,23)24)4-5-11(12)16-15(25-14)7-6-13(22)17(16)26-18(19)20/h2,4-8,14,18,22H,1,3,9H2,(H2,21,23,24).
What are the key properties of [1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 397.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).