N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide

C23H24FNO4S — CID 46023083

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2cc(F)ccc2C)cc1OC
InChIInChI=1S/C23H24FNO4S/c1-16-6-5-7-20(12-16)25(15-18-9-11-21(28-3)22(13-18)29-4)30(26,27)23-14-19(24)10-8-17(23)2/h5-14H,15H2,1-4H3
InChIKeyXSZOFXUOVOCSQY-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.86
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 46023083) has the molecular formula C23H24FNO4S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID46023083
Molecular FormulaC23H24FNO4S
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2cc(F)ccc2C)cc1OC
InChIInChI=1S/C23H24FNO4S/c1-16-6-5-7-20(12-16)25(15-18-9-11-21(28-3)22(13-18)29-4)30(26,27)23-14-19(24)10-8-17(23)2/h5-14H,15H2,1-4H3
InChIKeyXSZOFXUOVOCSQY-UHFFFAOYSA-N
XLogP4.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 42841963
N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 42841912
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022824
N-[(3,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-3-nitrobenzenesulfonamide
CID 42841781
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46022962
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
2-chloro-N-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46022483
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 46023083) is N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide is COc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2cc(F)ccc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is XSZOFXUOVOCSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4S/c1-16-6-5-7-20(12-16)25(15-18-9-11-21(28-3)22(13-18)29-4)30(26,27)23-14-19(24)10-8-17(23)2/h5-14H,15H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 46023083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).