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

C21H19F2NO3S — CID 46021806

IUPACN-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H19F2NO3S/c1-15-6-10-20(11-7-15)28(25,26)24(18-4-3-5-19(13-18)27-2)14-16-8-9-17(22)12-21(16)23/h3-13H,14H2,1-2H3
InChIKeyOXNLRYDOCOXLER-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.68
Rot. Bonds6

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

N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 46021806) has the molecular formula C21H19F2NO3S and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID46021806
Molecular FormulaC21H19F2NO3S
Molecular Weight403.45 g/mol
Exact Mass403.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H19F2NO3S/c1-15-6-10-20(11-7-15)28(25,26)24(18-4-3-5-19(13-18)27-2)14-16-8-9-17(22)12-21(16)23/h3-13H,14H2,1-2H3
InChIKeyOXNLRYDOCOXLER-UHFFFAOYSA-N
XLogP4.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 46022863
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022009
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide (CID 46021806) is N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide is COc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is OXNLRYDOCOXLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3S/c1-15-6-10-20(11-7-15)28(25,26)24(18-4-3-5-19(13-18)27-2)14-16-8-9-17(22)12-21(16)23/h3-13H,14H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide?
N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 403.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 46021806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).