[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C24H20ClF2NO5S — CID 18188608

IUPAC[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOc1ccc2c(c1OC(F)F)-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(Cl)c1)O2
InChIInChI=1S/C24H20ClF2NO5S/c1-2-10-31-20-9-8-19-21(23(20)33-24(26)27)17-7-6-14(13-34(28,29)30)11-18(17)22(32-19)15-4-3-5-16(25)12-15/h2-9,11-12,22,24H,1,10,13H2,(H2,28,29,30)
InChIKeyOPMINNFSRPEUIQ-UHFFFAOYSA-N
MW507.94 g/mol
LogP5.44
Rot. Bonds8

About [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188608) has the molecular formula C24H20ClF2NO5S and a molecular weight of 507.94 g/mol. Its IUPAC name is [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188608
Molecular FormulaC24H20ClF2NO5S
Molecular Weight507.94 g/mol
Exact Mass507.07
IUPAC Name[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOc1ccc2c(c1OC(F)F)-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(Cl)c1)O2
InChIInChI=1S/C24H20ClF2NO5S/c1-2-10-31-20-9-8-19-21(23(20)33-24(26)27)17-7-6-14(13-34(28,29)30)11-18(17)22(32-19)15-4-3-5-16(25)12-15/h2-9,11-12,22,24H,1,10,13H2,(H2,28,29,30)
InChIKeyOPMINNFSRPEUIQ-UHFFFAOYSA-N
XLogP5.44
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.94
LogP ≤ 55.44
H-Bond Donors ≤ 51
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 [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188608) is [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCOc1ccc2c(c1OC(F)F)-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(Cl)c1)O2.
What is the InChIKey of [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is OPMINNFSRPEUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2NO5S/c1-2-10-31-20-9-8-19-21(23(20)33-24(26)27)17-7-6-14(13-34(28,29)30)11-18(17)22(32-19)15-4-3-5-16(25)12-15/h2-9,11-12,22,24H,1,10,13H2,(H2,28,29,30).
What are the key properties of [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 507.94 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).