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

C20H16F3NO2S — CID 46022344

IUPACN-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C20H16F3NO2S/c1-14-5-4-6-17(11-14)24(13-15-9-10-16(21)12-19(15)23)27(25,26)20-8-3-2-7-18(20)22/h2-12H,13H2,1H3
InChIKeyDCTWWZUCBMKMQC-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.81
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 46022344) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
PubChem CID46022344
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C20H16F3NO2S/c1-14-5-4-6-17(11-14)24(13-15-9-10-16(21)12-19(15)23)27(25,26)20-8-3-2-7-18(20)22/h2-12H,13H2,1H3
InChIKeyDCTWWZUCBMKMQC-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]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841698
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 42841727
N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 46021806
N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46022691
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 46022863
N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide
CID 3688793
N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46023083
2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93147507

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide (CID 46022344) is N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is DCTWWZUCBMKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c1-14-5-4-6-17(11-14)24(13-15-9-10-16(21)12-19(15)23)27(25,26)20-8-3-2-7-18(20)22/h2-12H,13H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide?
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)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 N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 46022344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).