[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

C24H23F2NO6S — CID 18188555

IUPAC[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1ccc(C2Oc3ccc(C)c(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)cc1OC
InChIInChI=1S/C24H23F2NO6S/c1-13-4-8-19-21(22(13)33-24(25)26)16-7-5-14(12-34(27,28)29)10-17(16)23(32-19)15-6-9-18(30-2)20(11-15)31-3/h4-11,23-24H,12H2,1-3H3,(H2,27,28,29)
InChIKeyPUCJFFPFEZYVGK-UHFFFAOYSA-N
MW491.51 g/mol
LogP4.55
Rot. Bonds7

About [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188555) has the molecular formula C24H23F2NO6S and a molecular weight of 491.51 g/mol. Its IUPAC name is [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188555
Molecular FormulaC24H23F2NO6S
Molecular Weight491.51 g/mol
Exact Mass491.12
IUPAC Name[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1ccc(C2Oc3ccc(C)c(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)cc1OC
InChIInChI=1S/C24H23F2NO6S/c1-13-4-8-19-21(22(13)33-24(25)26)16-7-5-14(12-34(27,28)29)10-17(16)23(32-19)15-6-9-18(30-2)20(11-15)31-3/h4-11,23-24H,12H2,1-3H3,(H2,27,28,29)
InChIKeyPUCJFFPFEZYVGK-UHFFFAOYSA-N
XLogP4.55
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188555) is [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1ccc(C2Oc3ccc(C)c(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)cc1OC.
What is the InChIKey of [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is PUCJFFPFEZYVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO6S/c1-13-4-8-19-21(22(13)33-24(25)26)16-7-5-14(12-34(27,28)29)10-17(16)23(32-19)15-6-9-18(30-2)20(11-15)31-3/h4-11,23-24H,12H2,1-3H3,(H2,27,28,29).
What are the key properties of [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 491.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-2-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).