N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide

C19H15F2NO2S — CID 46021763

IUPACN-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H15F2NO2S/c20-16-9-11-19(12-10-16)25(23,24)22(14-15-5-2-1-3-6-15)18-8-4-7-17(21)13-18/h1-13H,14H2
InChIKeyFURNTVYRODWKLO-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.36
Rot. Bonds5

About N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide

N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 46021763) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID46021763
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC NameN-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H15F2NO2S/c20-16-9-11-19(12-10-16)25(23,24)22(14-15-5-2-1-3-6-15)18-8-4-7-17(21)13-18/h1-13H,14H2
InChIKeyFURNTVYRODWKLO-UHFFFAOYSA-N
XLogP4.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide
CID 30257196
2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 42841727
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-benzyl-4-fluoro-N-pyridin-1-ium-2-ylbenzenesulfonamide
CID 3619057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide (CID 46021763) is N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is FURNTVYRODWKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-16-9-11-19(12-10-16)25(23,24)22(14-15-5-2-1-3-6-15)18-8-4-7-17(21)13-18/h1-13H,14H2.
What are the key properties of N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide has a molecular weight of 359.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 46021763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).