3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

C21H19F2NO3S — CID 46023299

IUPAC3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C21H19F2NO3S/c1-15-9-10-18(13-21(15)23)24(14-16-5-3-7-19(11-16)27-2)28(25,26)20-8-4-6-17(22)12-20/h3-13H,14H2,1-2H3
InChIKeyNHZUTSRJMUHQPQ-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.68
Rot. Bonds6

About 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 46023299) has the molecular formula C21H19F2NO3S and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID46023299
Molecular FormulaC21H19F2NO3S
Molecular Weight403.45 g/mol
Exact Mass403.11
IUPAC Name3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C21H19F2NO3S/c1-15-9-10-18(13-21(15)23)24(14-16-5-3-7-19(11-16)27-2)28(25,26)20-8-4-6-17(22)12-20/h3-13H,14H2,1-2H3
InChIKeyNHZUTSRJMUHQPQ-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-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46023338
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
N-(4-bromophenyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023287
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023254
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46021837
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
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-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 42841912

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (CID 46023299) is 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is NHZUTSRJMUHQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3S/c1-15-9-10-18(13-21(15)23)24(14-16-5-3-7-19(11-16)27-2)28(25,26)20-8-4-6-17(22)12-20/h3-13H,14H2,1-2H3.
What are the key properties of 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide 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 3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46023299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).