[1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

C22H19F2NO5S — CID 18188611

IUPAC[1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1ccc(C2Oc3cccc(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)cc1
InChIInChI=1S/C22H19F2NO5S/c1-28-15-8-6-14(7-9-15)21-17-11-13(12-31(25,26)27)5-10-16(17)20-18(29-21)3-2-4-19(20)30-22(23)24/h2-11,21-22H,12H2,1H3,(H2,25,26,27)
InChIKeyDMKAFAZYQGMVLT-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.23
Rot. Bonds6

About [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

[1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188611) has the molecular formula C22H19F2NO5S and a molecular weight of 447.46 g/mol. Its IUPAC name is [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188611
Molecular FormulaC22H19F2NO5S
Molecular Weight447.46 g/mol
Exact Mass447.10
IUPAC Name[1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1ccc(C2Oc3cccc(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)cc1
InChIInChI=1S/C22H19F2NO5S/c1-28-15-8-6-14(7-9-15)21-17-11-13(12-31(25,26)27)5-10-16(17)20-18(29-21)3-2-4-19(20)30-22(23)24/h2-11,21-22H,12H2,1H3,(H2,25,26,27)
InChIKeyDMKAFAZYQGMVLT-UHFFFAOYSA-N
XLogP4.23
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188611) is [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1ccc(C2Oc3cccc(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)cc1.
What is the InChIKey of [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is DMKAFAZYQGMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO5S/c1-28-15-8-6-14(7-9-15)21-17-11-13(12-31(25,26)27)5-10-16(17)20-18(29-21)3-2-4-19(20)30-22(23)24/h2-11,21-22H,12H2,1H3,(H2,25,26,27).
What are the key properties of [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 447.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).