N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C21H20FNO3S — CID 46022009

IUPACN-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H20FNO3S/c1-16-10-12-20(13-11-16)27(24,25)23(19-8-5-7-18(22)14-19)15-17-6-3-4-9-21(17)26-2/h3-14H,15H2,1-2H3
InChIKeyRWBPWPDBWBQALU-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.54
Rot. Bonds6

About N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 46022009) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID46022009
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H20FNO3S/c1-16-10-12-20(13-11-16)27(24,25)23(19-8-5-7-18(22)14-19)15-17-6-3-4-9-21(17)26-2/h3-14H,15H2,1-2H3
InChIKeyRWBPWPDBWBQALU-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-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 46021806
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040
N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46770513
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51344460

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 46022009) is N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is RWBPWPDBWBQALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-16-10-12-20(13-11-16)27(24,25)23(19-8-5-7-18(22)14-19)15-17-6-3-4-9-21(17)26-2/h3-14H,15H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-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)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46022009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).