N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide

C21H20FNO3S — CID 46022927

IUPACN-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C21H20FNO3S/c1-16-7-3-4-12-21(16)27(24,25)23(15-17-8-5-9-18(22)13-17)19-10-6-11-20(14-19)26-2/h3-14H,15H2,1-2H3
InChIKeyGYTKEYXMVDAKCB-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.54
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide

N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 46022927) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID46022927
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C21H20FNO3S/c1-16-7-3-4-12-21(16)27(24,25)23(15-17-8-5-9-18(22)13-17)19-10-6-11-20(14-19)26-2/h3-14H,15H2,1-2H3
InChIKeyGYTKEYXMVDAKCB-UHFFFAOYSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 46152667
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
3-chloro-N-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023259
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46022962
2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 42841727
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023288
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023299
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022824
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide (CID 46022927) is N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide is COc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccccc2C)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is GYTKEYXMVDAKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-16-7-3-4-12-21(16)27(24,25)23(15-17-8-5-9-18(22)13-17)19-10-6-11-20(14-19)26-2/h3-14H,15H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide?
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 46022927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).