N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C23H23NO4S — CID 18188955

IUPACN-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cc(C)cc(C)c1)O2
InChIInChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3
InChIKeyOKMFMKSZIXQMRJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.83
Rot. Bonds4

About N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188955) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188955
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cc(C)cc(C)c1)O2
InChIInChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3
InChIKeyOKMFMKSZIXQMRJ-UHFFFAOYSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188955) is N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cc(C)cc(C)c1)O2.
What is the InChIKey of N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is OKMFMKSZIXQMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3.
What are the key properties of N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).