3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

C20H17F2NO3S — CID 46023254

IUPAC3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2ccccc2F)S(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C20H17F2NO3S/c1-26-17-8-4-6-15(12-17)14-23(20-11-3-2-10-19(20)22)27(24,25)18-9-5-7-16(21)13-18/h2-13H,14H2,1H3
InChIKeyDBDNYIHYUABNPQ-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.37
Rot. Bonds6

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

3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 46023254) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID46023254
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC Name3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2ccccc2F)S(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C20H17F2NO3S/c1-26-17-8-4-6-15(12-17)14-23(20-11-3-2-10-19(20)22)27(24,25)18-9-5-7-16(21)13-18/h2-13H,14H2,1H3
InChIKeyDBDNYIHYUABNPQ-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

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-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
3-fluoro-N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)benzenesulfonamide
CID 131936762
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
(2S)-2-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100605250
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
(2S)-2-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-[(2S)-butan-2-yl]-3-phenylpropanamide
CID 125096961
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 5244310

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (CID 46023254) is 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is COc1cccc(CN(c2ccccc2F)S(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is DBDNYIHYUABNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c1-26-17-8-4-6-15(12-17)14-23(20-11-3-2-10-19(20)22)27(24,25)18-9-5-7-16(21)13-18/h2-13H,14H2,1H3.
What are the key properties of 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide 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 3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46023254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).