N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C23H22FNO6S — CID 10182964

IUPACN-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1ccc(C2Oc3ccc(F)c(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1OC
InChIInChI=1S/C23H22FNO6S/c1-28-18-9-5-13(11-20(18)29-2)22-16-12-14(25-32(4,26)27)6-7-15(16)21-19(31-22)10-8-17(24)23(21)30-3/h5-12,22,25H,1-4H3
InChIKeyWLAPPZLWGYFCFN-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.37
Rot. Bonds6

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

N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10182964) has the molecular formula C23H22FNO6S and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10182964
Molecular FormulaC23H22FNO6S
Molecular Weight459.50 g/mol
Exact Mass459.12
IUPAC NameN-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1ccc(C2Oc3ccc(F)c(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1OC
InChIInChI=1S/C23H22FNO6S/c1-28-18-9-5-13(11-20(18)29-2)22-16-12-14(25-32(4,26)27)6-7-15(16)21-19(31-22)10-8-17(24)23(21)30-3/h5-12,22,25H,1-4H3
InChIKeyWLAPPZLWGYFCFN-UHFFFAOYSA-N
XLogP4.37
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10182964) is N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1ccc(C2Oc3ccc(F)c(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is WLAPPZLWGYFCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO6S/c1-28-18-9-5-13(11-20(18)29-2)22-16-12-14(25-32(4,26)27)6-7-15(16)21-19(31-22)10-8-17(24)23(21)30-3/h5-12,22,25H,1-4H3.
What are the key properties of N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 459.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10182964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).