N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide

C20H17F2NO3S — CID 46022863

IUPACN-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccccc2)c1
InChIInChI=1S/C20H17F2NO3S/c1-26-18-8-5-9-19(13-18)27(24,25)23(17-6-3-2-4-7-17)14-15-10-11-16(21)12-20(15)22/h2-13H,14H2,1H3
InChIKeyZAVXAKYCLNSOFX-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.37
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide

N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide (PubChem CID 46022863) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
PubChem CID46022863
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccccc2)c1
InChIInChI=1S/C20H17F2NO3S/c1-26-18-8-5-9-19(13-18)27(24,25)23(17-6-3-2-4-7-17)14-15-10-11-16(21)12-20(15)22/h2-13H,14H2,1H3
InChIKeyZAVXAKYCLNSOFX-UHFFFAOYSA-N
XLogP4.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 46021806
N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide (CID 46022863) is N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide is COc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccccc2)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is ZAVXAKYCLNSOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c1-26-18-8-5-9-19(13-18)27(24,25)23(17-6-3-2-4-7-17)14-15-10-11-16(21)12-20(15)22/h2-13H,14H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide?
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 389.42 g/mol, XLogP of 4.37, 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]-3-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 46022863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).