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

C14H12F3NO2S — CID 3315110

IUPAC2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C14H12F3NO2S/c1-9-2-3-10(6-12(9)16)8-18-21(19,20)14-5-4-11(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyDJFFYULNWHIDAO-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.89
Rot. Bonds4

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

2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 3315110) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
PubChem CID3315110
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C14H12F3NO2S/c1-9-2-3-10(6-12(9)16)8-18-21(19,20)14-5-4-11(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyDJFFYULNWHIDAO-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823083
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
2-fluoro-4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016085
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide (CID 3315110) is 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is DJFFYULNWHIDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-9-2-3-10(6-12(9)16)8-18-21(19,20)14-5-4-11(15)7-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide?
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3315110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).