N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide

C24H26FNO6S — CID 46022076

IUPACN-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCOc1ccc(C(C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H26FNO6S/c1-16(17-6-12-21(29-2)23(14-17)31-4)26(19-9-13-22(30-3)24(15-19)32-5)33(27,28)20-10-7-18(25)8-11-20/h6-16H,1-5H3
InChIKeyOTODZBBLBVRHKN-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.82
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide

N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 46022076) has the molecular formula C24H26FNO6S and a molecular weight of 475.54 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID46022076
Molecular FormulaC24H26FNO6S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCOc1ccc(C(C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H26FNO6S/c1-16(17-6-12-21(29-2)23(14-17)31-4)26(19-9-13-22(30-3)24(15-19)32-5)33(27,28)20-10-7-18(25)8-11-20/h6-16H,1-5H3
InChIKeyOTODZBBLBVRHKN-UHFFFAOYSA-N
XLogP4.82
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide (CID 46022076) is N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide is COc1ccc(C(C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is OTODZBBLBVRHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO6S/c1-16(17-6-12-21(29-2)23(14-17)31-4)26(19-9-13-22(30-3)24(15-19)32-5)33(27,28)20-10-7-18(25)8-11-20/h6-16H,1-5H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 475.54 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46022076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).