N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide

C21H19F2NO2S — CID 46021837

IUPACN-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H19F2NO2S/c1-15-6-10-20(11-7-15)27(25,26)24(14-17-4-3-5-18(22)12-17)19-9-8-16(2)21(23)13-19/h3-13H,14H2,1-2H3
InChIKeyLTNDMXKQUHZXOV-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.98
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide

N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 46021837) has the molecular formula C21H19F2NO2S and a molecular weight of 387.45 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID46021837
Molecular FormulaC21H19F2NO2S
Molecular Weight387.45 g/mol
Exact Mass387.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H19F2NO2S/c1-15-6-10-20(11-7-15)27(25,26)24(14-17-4-3-5-18(22)12-17)19-9-8-16(2)21(23)13-19/h3-13H,14H2,1-2H3
InChIKeyLTNDMXKQUHZXOV-UHFFFAOYSA-N
XLogP4.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
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-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023299
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 42841912

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide (CID 46021837) is N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is LTNDMXKQUHZXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2S/c1-15-6-10-20(11-7-15)27(25,26)24(14-17-4-3-5-18(22)12-17)19-9-8-16(2)21(23)13-19/h3-13H,14H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 387.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46021837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).