2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide

C20H16F3NO2S — CID 42841698

IUPAC2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESCc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2F)cc1F
InChIInChI=1S/C20H16F3NO2S/c1-14-10-11-16(12-19(14)23)24(13-15-6-2-3-7-17(15)21)27(25,26)20-9-5-4-8-18(20)22/h2-12H,13H2,1H3
InChIKeyIIFJRTLBJYZMMF-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.81
Rot. Bonds5

About 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide

2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 42841698) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
PubChem CID42841698
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC Name2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESCc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2F)cc1F
InChIInChI=1S/C20H16F3NO2S/c1-14-10-11-16(12-19(14)23)24(13-15-6-2-3-7-17(15)21)27(25,26)20-9-5-4-8-18(20)22/h2-12H,13H2,1H3
InChIKeyIIFJRTLBJYZMMF-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-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 961740
N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46022691
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153454
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
N-(1,3-benzodioxol-5-yl)-N-ethyl-2-fluorobenzenesulfonamide
CID 3434417
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide (CID 42841698) is 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide is Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is IIFJRTLBJYZMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c1-14-10-11-16(12-19(14)23)24(13-15-6-2-3-7-17(15)21)27(25,26)20-9-5-4-8-18(20)22/h2-12H,13H2,1H3.
What are the key properties of 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide 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 2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42841698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).