[6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

C22H18ClF2NO4S — CID 18189227

IUPAC[6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCc1c(CS(N)(=O)=O)ccc2c1C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C22H18ClF2NO4S/c1-12-14(11-31(26,27)28)8-9-16-19(12)21(13-4-2-5-15(23)10-13)29-17-6-3-7-18(20(16)17)30-22(24)25/h2-10,21-22H,11H2,1H3,(H2,26,27,28)
InChIKeyMYQFQYSIQAEWAK-UHFFFAOYSA-N
MW465.91 g/mol
LogP5.19
Rot. Bonds5

About [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18189227) has the molecular formula C22H18ClF2NO4S and a molecular weight of 465.91 g/mol. Its IUPAC name is [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18189227
Molecular FormulaC22H18ClF2NO4S
Molecular Weight465.91 g/mol
Exact Mass465.06
IUPAC Name[6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCc1c(CS(N)(=O)=O)ccc2c1C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C22H18ClF2NO4S/c1-12-14(11-31(26,27)28)8-9-16-19(12)21(13-4-2-5-15(23)10-13)29-17-6-3-7-18(20(16)17)30-22(24)25/h2-10,21-22H,11H2,1H3,(H2,26,27,28)
InChIKeyMYQFQYSIQAEWAK-UHFFFAOYSA-N
XLogP5.19
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.91
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18189227) is [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is Cc1c(CS(N)(=O)=O)ccc2c1C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is MYQFQYSIQAEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2NO4S/c1-12-14(11-31(26,27)28)8-9-16-19(12)21(13-4-2-5-15(23)10-13)29-17-6-3-7-18(20(16)17)30-22(24)25/h2-10,21-22H,11H2,1H3,(H2,26,27,28).
What are the key properties of [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 465.91 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)-1-(difluoromethoxy)-7-methyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18189227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).