N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C19H15F2NO2S — CID 46152490

IUPACN-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C19H15F2NO2S/c20-16-11-9-15(10-12-16)14-22(18-6-4-5-17(21)13-18)25(23,24)19-7-2-1-3-8-19/h1-13H,14H2
InChIKeyXXAAGPRCHNOHGH-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.36
Rot. Bonds5

About N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide

N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 46152490) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID46152490
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC NameN-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C19H15F2NO2S/c20-16-11-9-15(10-12-16)14-22(18-6-4-5-17(21)13-18)25(23,24)19-7-2-1-3-8-19/h1-13H,14H2
InChIKeyXXAAGPRCHNOHGH-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-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 46152490) is N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is XXAAGPRCHNOHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-16-11-9-15(10-12-16)14-22(18-6-4-5-17(21)13-18)25(23,24)19-7-2-1-3-8-19/h1-13H,14H2.
What are the key properties of N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]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-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46152490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).