2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C14H9F6NO2S — CID 3821577

IUPAC2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1F
InChIInChI=1S/C14H9F6NO2S/c15-10-2-4-13(12(17)6-10)24(22,23)21-7-8-5-9(14(18,19)20)1-3-11(8)16/h1-6,21H,7H2
InChIKeyVKSLOFDLDOSDNO-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.60
Rot. Bonds4

About 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3821577) has the molecular formula C14H9F6NO2S and a molecular weight of 369.29 g/mol. Its IUPAC name is 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID3821577
Molecular FormulaC14H9F6NO2S
Molecular Weight369.29 g/mol
Exact Mass369.03
IUPAC Name2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1F
InChIInChI=1S/C14H9F6NO2S/c15-10-2-4-13(12(17)6-10)24(22,23)21-7-8-5-9(14(18,19)20)1-3-11(8)16/h1-6,21H,7H2
InChIKeyVKSLOFDLDOSDNO-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.60
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
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
N-[(2-chloro-3,6-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 4994625
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
2,4-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498039
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 3821577) is 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is VKSLOFDLDOSDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO2S/c15-10-2-4-13(12(17)6-10)24(22,23)21-7-8-5-9(14(18,19)20)1-3-11(8)16/h1-6,21H,7H2.
What are the key properties of 2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 369.29 g/mol, XLogP of 3.60, 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-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3821577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).