N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C23H24FNO5S — CID 42841941

IUPACN-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C23H24FNO5S/c1-16-5-11-20(14-21(16)24)31(26,27)25(15-17-6-9-19(28-2)10-7-17)18-8-12-22(29-3)23(13-18)30-4/h5-14H,15H2,1-4H3
InChIKeyORARJQJSGBEMTH-UHFFFAOYSA-N
MW445.51 g/mol
LogP4.56
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 42841941) has the molecular formula C23H24FNO5S and a molecular weight of 445.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID42841941
Molecular FormulaC23H24FNO5S
Molecular Weight445.51 g/mol
Exact Mass445.14
IUPAC NameN-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C23H24FNO5S/c1-16-5-11-20(14-21(16)24)31(26,27)25(15-17-6-9-19(28-2)10-7-17)18-8-12-22(29-3)23(13-18)30-4/h5-14H,15H2,1-4H3
InChIKeyORARJQJSGBEMTH-UHFFFAOYSA-N
XLogP4.56
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888
N-(4-bromophenyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023287
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023299
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2533151

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 42841941) is N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is ORARJQJSGBEMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO5S/c1-16-5-11-20(14-21(16)24)31(26,27)25(15-17-6-9-19(28-2)10-7-17)18-8-12-22(29-3)23(13-18)30-4/h5-14H,15H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 445.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42841941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).