N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide

C20H16F3NO2S — CID 46152473

IUPACN-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16F3NO2S/c1-14-2-10-19(11-3-14)27(25,26)24(18-8-6-16(21)7-9-18)13-15-4-5-17(22)12-20(15)23/h2-12H,13H2,1H3
InChIKeyRCTQXIDEPYOMOH-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.81
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide

N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 46152473) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID46152473
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16F3NO2S/c1-14-2-10-19(11-3-14)27(25,26)24(18-8-6-16(21)7-9-18)13-15-4-5-17(22)12-20(15)23/h2-12H,13H2,1H3
InChIKeyRCTQXIDEPYOMOH-UHFFFAOYSA-N
XLogP4.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 46021806
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 46022863
N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022009
N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 46022588
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46021837

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (CID 46152473) is N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is RCTQXIDEPYOMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c1-14-2-10-19(11-3-14)27(25,26)24(18-8-6-16(21)7-9-18)13-15-4-5-17(22)12-20(15)23/h2-12H,13H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 391.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 46152473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).